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(含文中明確致謝的及用戶反饋的)

頂級期刊論文 年份:全部 2025 2024 2023 2022 2021 2020 2019 2018 2017 2016 2015 2014 2013 2012 2011 2010 2009 2008 2007 2006 2005 2004

總數:2520篇(JCR分區依據中國科學院2014年學金宝搏入口188類標準

2025年:0篇

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        2022年:451篇

        1. Article: A Strategy to Enhance the Catalytic Activity of Electrode Materials by Doping Bismuth for Symmetrical Solid Oxide Electrolysis Cells
          Wan, Yanhong and Yang, Yi and Lu, Yalin and Peng, Ranran and Xia, Changrong
          ACS Applied Energy Materials, 2022, 5, 2339--2348, 2, ACS Publications
        2. Article: Active-Site-Specific Structural Engineering Enabled Ultrahigh Rate Performance of the NaLi3Fe3 (PO4) 2 (P2O7) Cathode for Lithium-Ion Batteries
          Zhang, Li-Ming and Xiao, Jing-Chao and Wang, Jun-Ru and Dong, Jie-Min and Ren, Nai-Qing and Li, Yi-Xuan and Pan, Bi-Cai and Wen, Zhao-Yin and Chen, Chun-Hua
          ACS Applied Materials & Interfaces, 2022, 14, 11255--11263, 9, ACS Publications
        3. Article: Catalytic Oxygen Activation over the Defective CuO Nanoparticles for Ultrafast Dehalogenation
          Huang, Mingjie and Han, Yi and Xiang, Wei and Wang, Chen and Mao, Juan and Zhou, Tao and Wu, Xiaohui and Yu, Han-Qing
          ACS Applied Materials & Interfaces, 2022, 14, 29964--29973, 26, ACS Publications
        4. Article: Dual-Atom Metal and Nonmetal Site Catalyst on a Single Nickel Atom Supported on a Hybridized BCN Nanosheet for Electrochemical CO2 Reduction to Methane: Combining High Activity and Selectivity
          Zhang, Yuqin and Liu, Tianyong and Wang, Xiaohang and Dang, Qian and Zhang, Mingjie and Zhang, Shiyong and Li, Xingxing and Tang, Shaobin and Jiang, Jun
          ACS Applied Materials & Interfaces, 2022, 14, 9073--9083, 7, ACS Publications
        5. Article: Electrochemistry of P--C Bonds in Phosphorus--Carbon Based Anode Materials
          Li, Pai and Jin, Hongchang and Zhong, Guiming and Ji, Hengxing and Li, Zhenyu and Yang, Jinlong
          ACS Applied Materials & Interfaces, 2022, 14, 18506--18512, 16, ACS Publications
        6. Article: Hydrolysis of Ammonia Borane on a Single Pt Atom Supported by N-Doped Graphene
          Gong, Bingbing and Wu, Hong and Sheng, Li and Zhang, Wenhua and Wu, Xiaojun
          ACS Applied Materials & Interfaces, 2022, 14, 13231--13239, 11, ACS Publications
        7. Article: Optimizing the Interlayer Spacing of Heteroatom-Doped Carbon Nanofibers toward Ultrahigh Potassium-Storage Performances
          Zheng, Fangcai and Chu, Kainian and Yang, Yang and Li, Zhiqiang and Wei, Lingzhi and Xu, Yang and Yao, Ge and Chen, Qianwang
          ACS Applied Materials & Interfaces, 2022, 14, 9212--9221, 7, ACS Publications
        8. Article: Proton-Trapping Agent for Mitigating Hydrogen Evolution Corrosion of Zn for an Electrolytic MnO2/Zn Battery
          Sun, Jifei and Liu, Zaichun and Li, Ke and Yuan, Yuan and Zheng, Xinhua and Xu, Yan and Wang, Mingming and Chuai, Mingyan and Hu, Hanlin and Chen, Wei
          ACS Applied Materials & Interfaces, 2022, ACS Publications
        9. Article: Single-Atom Low-Valent Alkaline-Earth-Metal Catalysts for Electrochemical Nitrogen Reduction with an Acceptance--Backdonation Mechanism
          Wen, Zhilin and Lv, Haifeng and Wu, Xiaojun
          ACS Applied Materials & Interfaces, 2022, ACS Publications
        10. Article: Tuning the Phase Transition of SrFeO3- $delta$ by Mn toward Enhanced Catalytic Activity and CO2 Resistance for the Oxygen Reduction Reaction
          Zhang, Lu and Huan, Daoming and Zhu, Kang and Dai, Pengqi and Peng, Ranran and Xia, Changrong
          ACS Applied Materials & Interfaces, 2022, 14, 17358--17368, 15, ACS Publications
        11. Article: Ultrasmall Cu Nanocrystals Dispersed in Nitrogen-Doped Carbon as Highly Efficient Catalysts for CO2 Electroreduction
          Meng, Xiangfu and Pan, Guoxing and Liu, Hongji and Qian, Yong and Wang, Xingyu and Wang, Changlai and Hu, Lin and Wang, Hui and Chen, Qianwang
          ACS Applied Materials & Interfaces, 2022, 14, 17240--17248, 15, ACS Publications
        12. Article: In Situ Dynamic Construction of a Copper Tin Sulfide Catalyst for High-Performance Electrochemical CO2 Conversion to Formate
          Li, Ke and Xu, Jingwen and Zheng, Tingting and Yuan, Yuan and Liu, Shuang and Shen, Chunyue and Jiang, Taoli and Sun, Jifei and Liu, Zaichun and Xu, Yan and others
          ACS Catalysis, 2022, 12, 9922--9932, 16, ACS Publications
        13. Article: Linear Regression Model for Predicting Allyl Alcohol C--O Bond Activity under Palladium Catalysis
          Liu, DeGuang and Xu, ZheYuan and Lu, Xi and Yu, HaiZhu and Fu, Yao
          ACS Catalysis, 2022, 12, 13921--13929, ACS Publications
        14. Article: Manipulating Coordination Structures of Mixed-Valence Copper Single Atoms on 1T-MoS2 for Efficient Hydrogen Evolution
          Li, Zhida and Yan, Xingxu and He, Dong and Hu, Wenhui and Younan, Sabrina and Ke, Zunjian and Patrick, Margaret and Xiao, Xiangheng and Huang, Jier and Wu, Hongjun and others
          ACS Catalysis, 2022, 12, 7687--7695, 13, ACS Publications
        15. Article: Neighboring Cationic Vacancy Assisted Adsorption Optimization on Single-Atom Sites for Improved Oxygen Evolution
          Wang, Dongdi and Xue, Jiawei and Ding, Xilan and Wei, Jie and Feng, Chen and Wang, Ruyang and Ma, Peiyu and Wang, Sicong and Cao, Heng and Wang, Jingyan and others
          ACS Catalysis, 2022, 12, 12458--12468, 19, ACS Publications
        16. Article: Support Amorphization Engineering Regulates Single-Atom Ru as an Electron Pump for Nitrogen Photofixation
          Liu, Peigen and Huang, Zixiang and Yang, Shaokang and Du, Junyi and Zhang, Yida and Cao, Rui and Chen, Cai and Li, Lei and Chen, Tao and Wang, Gongming and others
          ACS Catalysis, 2022, 12, 8139--8146, 13, ACS Publications
        17. Article: Boosting Adsorption and Catalysis of Polysulfides by Multifunctional Separator for Lithium--Sulfur Batteries
          Li, Zhen and Sun, Yingjie and Wu, Xiaojun and Yuan, Hua and Yu, Yan and Tan, Yeqiang
          ACS Energy Letters, 2022, 7, 4190--4197, ACS Publications
        18. Article: Regulating the Surface Electronic Structure of RuNi Alloys for Boosting Alkaline Hydrogen Oxidation Electrocatalysis
          Zhang, Xiaojuan and Li, Zhiqiang and Sun, Xinpeng and Wei, Lingzhi and Niu, Helin and Chen, Shan and Chen, Qianwang and Wang, Changlai and Zheng, Fangcai
          ACS Materials Letters, 2022, 4, 2097--2105, 11, ACS Publications
        19. Article: Engineering Electronic Transfer Dynamics and Ion Adsorption Capability in Dual-Doped Carbon for High-Energy Potassium Ion Hybrid Capacitors
          Gao, Jingyu and Wang, Gongrui and Wang, Wentao and Yu, Lai and Peng, Bo and El-Harairy, Ahmed and Li, Jie and Zhang, Genqiang
          ACS nano, 2022, 16, 6255--6265, 4, ACS Publications
        20. Article: How to Make Personal Protective Equipment Spontaneously and Continuously Antimicrobial (Incorporating Oxidase-like Catalysts)
          Jin, Xinyang and Gao, Feng and Qin, Mingxin and Yu, Yunpeng and Zhao, Yue and Shao, Tianyi and Chen, Cai and Zhang, Wenhua and Xie, Bin and Xiong, Yujie and others
          ACS nano, 2022, ACS Publications
        21. Article: Thickness-Driven Quantum Anomalous Hall Phase Transition in Magnetic Topological Insulator Thin Films
          Ji, Yuchen and Liu, Zheng and Zhang, Peng and Li, Lun and Qi, Shifei and Chen, Peng and Zhang, Yong and Yao, Qi and Liu, Zhongkai and Wang, Kang L and others
          ACS nano, 2022, 16, 1134--1141, 1, American Chemical Society
        22. Article: A Proton-Barrier Separator Induced via Hofmeister Effect for High-Performance Electrolytic MnO2--Zn Batteries
          Yuan, Yuan and Yang, Jinlong and Liu, Zaichun and Tan, Rui and Chuai, Mingyan and Sun, Jifei and Xu, Yan and Zheng, Xinhua and Wang, Mingming and Ahmad, Touqeer and others
          Advanced Energy Materials, 2022, 12, 2103705, 16, Wiley Online Library
        23. Article: Autocatalytic Surface Reduction-Assisted Synthesis of PtW Ultrathin Alloy Nanowires for Highly Efficient Hydrogen Evolution Reaction
          Gao, Lei and Yang, Zhilong and Sun, Tulai and Tan, Xin and Lai, Wenchuan and Li, Mengfan and Kim, Jeonghyeon and Lu, Yang-Fan and Choi, Sang-Il and Zhang, Wenhua and others
          Advanced Energy Materials, 2022, 12, 2103943, 11, Wiley Online Library
        24. Article: Optimizing Hydrogen Adsorption by d--d Orbital Modulation for Efficient Hydrogen Evolution Catalysis
          Liu, Jiangchao and Tang, Chongyang and Ke, Zunjian and Chen, Rui and Wang, Hongbo and Li, Wenqing and Jiang, Changzhong and He, Dong and Wang, Gongming and Xiao, Xiangheng
          Advanced Energy Materials, 2022, 12, 2103301, 9, Wiley Online Library
        25. Article: Solid Electrolyte Interface Regulated by Solvent-in-Water Electrolyte Enables High-Voltage and Stable Aqueous Mg-MnO2 Batteries
          Xu, Yan and Liu, Zaichun and Zheng, Xinhua and Li, Ke and Wang, Mingming and Yu, Wei and Hu, Hanlin and Chen, Wei
          Advanced Energy Materials, 2022, 2103352, Wiley Online Library
        26. Article: A Friendly Soluble Protic Additive Enabling High Discharge Capability and Stabilizing Li Metal Anodes in Li--O2 Batteries
          Wan, Hao and Sun, Yingjie and Cai, Wenlong and Shi, Qianqi and Zhu, Yongchun and Qian, Yitai
          Advanced Functional Materials, 2022, 32, 2106984, 2
        27. Article: Hydrogenated Oxide Material for Self-Targeting and Automatic-Degrading Photothermal Tumor Therapy in the NIR-II Bio-Window
          Zhu, Qing and Jiang, Wei and Ye, Ke and Jin, Shunru and Dong, Wang and Liu, Songde and Zhang, Guozhen and Tian, Chao and Luo, Yi and Wang, Yucai and others
          Advanced Functional Materials, 2022, 32, 2110881, 14
        28. Article: Modification of Porous N-Doped Carbon with Sulfonic Acid toward High-ICE/Capacity Anode Material for Potassium-Ion Batteries
          Tu, Jinwei and Tong, Huigang and Zeng, Xuehao and Chen, Shi and Wang, Changlai and Zheng, Wei and Wang, Hui and Chen, Qianwang
          Advanced Functional Materials, 2022, 32, 2204991, 34, Wiley Online Library
        29. Article: Tuning the Interaction between Ruthenium Single Atoms and the Second Coordination Sphere for Efficient Nitrogen Photofixation
          Zhang, Yida and Wang, Qingyu and Yang, Shaokang and Wang, Hengwei and Rao, Dewei and Chen, Tao and Wang, Gongming and Lu, Junling and Zhu, Junfa and Wei, Shiqiang and others
          Advanced Functional Materials, 2022, 32, 2112452, 12, Wiley Online Library
        30. Article: Antiquenching Macromolecular NIR-II Probes with High-Contrast Brightness for Imaging-Guided Photothermal Therapy under 1064 nm Irradiation
          Cheng, Quan and Tian, Youliang and Dang, Huiping and Teng, Changchang and Xie, Kai and Yin, Dalong and Yan, Lifeng
          Advanced Healthcare Materials, 2022, 11, 2101697, 1
        31. Article: A General Strategy to Immobilize Single-Atom Catalysts in Metal--Organic Frameworks for Enhanced Photocatalysis
          Sui, Jianfei and Liu, Hang and Hu, Shaojin and Sun, Kang and Wan, Gang and Zhou, Hua and Zheng, Xiao and Jiang, Hai-Long
          Advanced Materials, 2022, 34, 2109203, 6
        32. Article: Atomically Dispersed Dual-Site Cathode with a Record High Sulfur Mass Loading for High-Performance Room-Temperature Sodium-Sulfur Batteries
          Zhang, Bin-Wei and Cao, Liuyue and Tang, Cheng and Tan, Chunhui and Cheng, Ningyan and Lai, Wei-Hong and Wang, Yun-Xiao and Cheng, Zhen-Xiang and Dong, Juncai and Kong, Yuan and others
          Advanced Materials, 2022, 2206828, Wiley Online Library
        33. Article: Cation-Vacancy-Enriched Nickel Phosphide for Efficient Electrosynthesis of Hydrogen Peroxides
          Zhou, Zheng and Kong, Yuan and Tan, Hao and Huang, Qianwei and Wang, Cheng and Pei, Zengxia and Wang, Haozhu and Liu, Yangyang and Wang, Yihan and Li, Sai and others
          Advanced Materials, 2022, 34, 2106541, 16, Wiley Online Library
        34. Article: Modulating the Site Density of Mo Single Atoms to Catch Adventitious O Atoms for Efficient H2O2 Oxidation with Light
          Zhang, Congmin and Bai, Lichen and Chen, Min and Sun, Xuejiao and Zhu, Mengzhao and Wu, Qinglong and Gao, Xiaoping and Zhang, Qun and Zheng, Xusheng and Yu, Zhen-Qiang and others
          Advanced Materials, 2022, 2208704, Wiley Online Library
        35. Article: Spatial Band Separation in a Surface Doped Heterolayered Structure for Realizing Efficient Singlet Oxygen Generation
          Jin, Sen and Shao, Wei and Luo, Xiao and Wang, Hui and Sun, Xianshun and He, Xin and Zhang, Xiaodong and Xie, Yi
          Advanced Materials, 2022, 2206516, Wiley Online Library
        36. Article: Synergy between palladium single atoms and nanoparticles via hydrogen spillover for enhancing CO2 photoreduction to CH4
          Liu, Peigen and Huang, Zixiang and Gao, Xiaoping and Hong, Xun and Zhu, Junfa and Wang, Gongming and Wu, Yuen and Zeng, Jie and Zheng, Xusheng
          Advanced Materials, 2022, 34, 2200057, 16, Wiley Online Library
        37. Article: Theory-Driven Design of a Cationic Accelerator for High-Performance Electrolytic MnO2--Zn Batteries
          Chuai, Mingyan and Yang, Jinlong and Tan, Rui and Liu, Zaichun and Yuan, Yuan and Xu, Yan and Sun, Jifei and Wang, Mingming and Zheng, Xinhua and Chen, Na and others
          Advanced Materials, 2022, 34, 2203249, 33, Wiley Online Library
        38. Article: Unusual Site-Selective Doping in Layered Cathode Strengthens Electrostatic Cohesion of Alkali-Metal Layer for Practicable Sodium-Ion Full Cell
          Peng, Bo and Chen, Yanxu and Wang, Feng and Sun, Zhihao and Zhao, Liping and Zhang, Xiaolei and Wang, Wentao and Zhang, Genqiang
          Advanced Materials, 2022, 34, 2103210, 6
        39. Article: Numerical study of unsteady flow and cooling characteristics of turbine blade cutback trailing edges integrated with pin fins and film holes
          Li, Yuefeng and Xu, Huazhao and Wang, Jianhua and Zhu, Junqiang and Su, Hang
          Aerospace Science and Technology, 2022, 126, 107604, Elsevier
        40. Article: Bipolar Magnetic Molecules for Spin-Polarized Electric Current in Molecular Junctions
          Hu, Yujie and Li, Xingxing and Li, Qunxiang and Yang, Jinlong
          Angewandte Chemie, 2022, Wiley Online Library
        41. Article: Dehydroxylative Alkylation of $alpha$-Hydroxy Carboxylic Acids Derivatives via a Spin-Center Shift
          Peng, Tian-Yu and Xu, Zhe-Yuan and Zhang, Feng-Lian and Li, Bin and Xu, Wen-Ping and Fu, Yao and Wang, Yi-Feng
          Angewandte Chemie, 2022, e202201329, Wiley Online Library
        42. Article: Design of Co-Cu Diatomic Site Catalysts for High-efficiency Synergistic CO2 Electroreduction at Industrial-level Current Density
          Yi, Jun-dong and Gao, Xiaoping and Zhou, Huang and Chen, Wei and Wu, Yuen
          Angewandte Chemie, 2022, 134, e202212329, 47, Wiley Online Library
        43. Article: In Situ Spectroscopic Characterization and Theoretical Calculations Identify Partially Reduced ZnO1- x/Cu Interfaces for Methanol Synthesis from CO2
          Liu, Xinyu and Luo, Jie and Wang, Hengwei and Huang, Li and Wang, Shasha and Li, Shang and Sun, Zhihu and Sun, Fanfei and Jiang, Zheng and Wei, Shiqiang and others
          Angewandte Chemie, 2022, e202202330, Wiley Online Library
        44. Article: Nickel-Catalyzed Switchable Site-Selective Alkene Hydroalkylation by Temperature Regulation
          Wang, Jia-Wang and Liu, De-Guang and Chang, Zhe and Li, Zhen and Fu, Yao and Lu, Xi
          Angewandte Chemie, 2022, 134, e202205537, 31, Wiley Online Library
        45. Article: Regulating Surface Reaction Kinetics through Ligand Field Effects for Fast and Reversible Aqueous Zinc Batteries
          Liu, Bo and Wei, Cong and Zhu, Zixuan and Fang, Yanyan and Bian, Zenan and Lei, Xin and Zhou, Ya and Tang, Chongyang and Qian, Yitai and Wang, Gongming
          Angewandte Chemie, 2022, 134, e202212780, 44, Wiley Online Library
        46. Article: Dual Nanoislands on Ni/C Hybrid Nanosheet Activate Superior Hydrazine Oxidation-Assisted High-Efficiency H2 Production
          Zhu, Yin and Zhang, Jihua and Qian, Qizhu and Li, Yapeng and Li, Ziyun and Liu, Yi and Xiao, Chong and Zhang, Genqiang and Xie, Yi
          Angewandte Chemie International Edition, 2022, 61, e202113082, 2
        47. Article: High-Capacity Zinc Anode with 96\% Utilization Rate Enabled by Solvation Structure Design
          Wang, Mingming and Ma, Jiale and Meng, Yahan and Sun, Jifei and Yuan, Yuan and Chuai, Mingyan and Chen, Na and Xu, Yan and Zheng, Xinhua and Li, Zhenyu and others
          Angewandte Chemie International Edition, 2022, Wiley Online Library
        48. Article: Intrinsic Nonflammable Ether Electrolytes for Ultrahigh-Voltage Lithium Metal Batteries Enabled by Chlorine Functionality
          Tan, Lijiang and Chen, Shunqiang and Chen, Yawei and Fan, Jiajia and Ruan, Digen and Nian, Qingshun and Chen, Li and Jiao, Shuhong and Ren, Xiaodi
          Angewandte Chemie International Edition, 2022, e202203693, Wiley Online Library
        49. Article: Ultrathin In-Plane Heterostructures for Efficient CO2 Chemical Fixation
          Jin, Sen and Shao, Wei and Chen, Shichuan and Li, Lei and Shang, Shu and Zhao, Yan and Zhang, Xiaodong and Xie, Yi
          Angewandte Chemie International Edition, 2022, 61, e202113411, 3
        50. Article: Edge electronic vacancy on ultrathin carbon nitride nanosheets anchoring O2 to boost H2O2 photoproduction
          Liu, Lian-Lian and Chen, Fei and Wu, Jing-Hang and Ke, Ming-Kun and Cui, Chao and Chen, Jie-Jie and Yu, Han-Qing
          Applied Catalysis B: Environmental, 2022, 302, 120845, Elsevier
        51. Article: Highly stable and efficient Pt single-atom catalyst for reversible proton-conducting solid oxide cells
          Li, Xinyu and Chen, Zemin and Yang, Yi and Huan, Daoming and Su, Hui and Zhu, Kang and Shi, Nai and Qi, Zeming and Zheng, Xusheng and Pan, Haibin and others
          Applied Catalysis B: Environmental, 2022, 316, 121627, Elsevier
        52. Article: Interfacial synergies between single-atomic Pt and CoS for enhancing hydrogen evolution reaction catalysis
          Mosallanezhad, Amirabbas and Wei, Cong and Koudakan, Payam Ahmadian and Fang, Yanyan and Niu, Shuwen and Bian, Zenan and Liu, Bo and Huang, Ting and Pan, Hongge and Wang, Gongming
          Applied Catalysis B: Environmental, 2022, 121534, Elsevier
        53. Article: Self-activated Ni (OH) 2 cathode for complete electrochemical reduction of trichloroethylene to ethane in low-conductivity groundwater
          Deng, Jia and Wu, Feng and Gao, Shuxian and Dionysiou, Dionysios D and Huang, Li-Zhi
          Applied Catalysis B: Environmental, 2022, 309, 121258, Elsevier
        54. Article: Ternary boron carbon nitrides hollow nanotubes with tunable pn homojunction for photo-assisted uranium extraction: A combined batch, EXAFS and DFT calculations
          Chen, Tao and Liu, Tong and Zhou, Li and Li, Mingxin and Meng, Qi and Yu, Kaifu and Lian, Jie and Zhu, Wenkun
          Applied Catalysis B: Environmental, 2022, 318, 121815, Elsevier
        55. Article: Evolution of atomic and electronic structures of Cun (n= 2--10) clusters supported on anatase TiO2 (1 0 1) surface
          Huang, Zequan and Zuo, Xiang and Li, Dongdong and Qu, Bingyan and Zhou, Rulong
          Applied Surface Science, 2022, 576, 151772, Elsevier
        56. Article: Molecular geometry effect on gas transport through nanochannels: Beyond Knudsen theory
          Qian, JianHao and Wu, HengAn and Wang, FengChao
          Applied Surface Science, 2022, 155613, Elsevier
        57. Article: Performance of tungsten nitride compound surfaces to resist sputtering under intense irradiation in nuclear fusion reactors
          Yu, PF and Pan, BC
          Applied Surface Science, 2022, 600, 154072, Elsevier
        58. Article: Rational design synergistic metal-free dual-atom electrocatalyst for N2 to NH3 reaction on g-CN: A first principle study
          Liu, Xuefei and Zhang, Yuefei and Liu, Tianyun and Wang, Wentao and Luo, Zijiang and Zhang, Zhaocai and Xiao, Wenjun
          Applied Surface Science, 2022, 605, 154831, Elsevier
        59. Article: Discrepancy in assimilated atmospheric CO over East Asia in 2015--2020 by assimilating satellite and surface CO measurements
          Tang, Zhaojun and Chen, Jiaqi and Jiang, Zhe
          Atmospheric Chemistry and Physics, 2022, 22, 7815--7826, 11, Copernicus GmbH
        60. Article: Overall thermal performances of backward film cooling with simulated surface thermal barrier coatings at various walls
          Pu, Jian and Zhang, Tiao and Zhou, Wen-li and Wang, Jian-hua and Wu, Wei-long
          Case Studies in Thermal Engineering, 2022, 32, 101876, Elsevier
        61. Article: Single-cell transcriptome profiling and chromatin accessibility reveal an exhausted regulatory CD4+ T cell subset in systemic lupus erythematosus
          Guo, Chuang and Liu, Qian and Zong, Dandan and Zhang, Wen and Zuo, Zuqi and Yu, Qiaoni and Sha, Qing and Zhu, Lin and Gao, Xuyuan and Fang, Jingwen and others
          Cell Reports, 2022, 41, 111606, 6, Elsevier
        62. Article: Luminescence properties of multicolor emitting La4GeO8: Tb3+, Eu3+ phosphors
          Chi, Fengfeng and Pan, Liangliang and Jiang, Bin and Ji, Zhangchao and Cheng, Jie and Wang, Bing and Wei, Xiantao and Liu, Shengli
          Ceramics International, 2022, Elsevier
        63. Article: Analytical investigation on totally asymmetric simple exclusion process with Langmuir kinetics and a parallel update with two sub-steps
          Hao, Qing-Yi and Jiang, Rui and Hu, Mao-Bin and Wu, Chao-Yun and Guo, Ning
          Chaos, Solitons & Fractals, 2022, 160, 112233, Elsevier
        64. Article: Catalytic cycloaddition of CO2 to epoxides by the synergistic effect of acidity and alkalinity in a functionalized biochar
          Cheng, Bin-Hai and Deng, Lin-Jie and Jiang, Jun and Jiang, Hong
          Chemical Engineering Journal, 2022, 442, 136265, Elsevier
        65. Article: Fast prediction of methane adsorption in shale nanopores using kinetic theory and machine learning algorithm
          Huang, MengCheng and Xu, HengYu and Yu, Hao and Zhang, HouLin and Micheal, Marembo and Yuan, XinHeng and Wu, HengAn
          Chemical Engineering Journal, 2022, 137221, Elsevier
        66. Article: MOF-derived Fe2O3@ MoS2: An efficient electrocatalyst for ammonia synthesis under mild conditions
          Ma, Chaoqun and Liu, Da and Zhang, Yanli and Lee, Jin Yong and Tian, Jian and Liu, Bingping and Yan, Shihai
          Chemical Engineering Journal, 2022, 430, 132694, Elsevier
        67. Article: Porous organic polymers involving chloro-substituted peryleneimide for photocatalytic water oxidation under visible light irradiation
          Li, Hongrui and Luo, Xiao and Chen, Minghui and Liu, Chenxi and Wu, Xiaojun and Feng, Yaqing and Zhang, Bao
          Chemical Engineering Journal, 2022, 443, 136463, Elsevier
        68. Article: Pressure and concentration effects on intermineral calcium isotope fractionation involving garnet
          Li, Yonghui and Wu, Zhongqing and Huang, Shichun and Wang, Wenzhong
          Chemical Geology, 2022, 591, 120722, Elsevier
        69. Article: Linker engineering in metal--organic frameworks for dark photocatalysis
          Pan, Yating and Wang, Jingxue and Chen, Shengyi and Yang, Weijie and Ding, Chunmei and Waseem, Amir and Jiang, Hai-Long
          Chemical science, 2022, 13, 6696--6703, 22, Royal Society of Chemistry
        70. Article: Ni-catalyzed asymmetric hydrophosphinylation of conjugated enynes and mechanistic studies
          Zhang, Ya-Qian and Han, Xue-Yu and Wu, Yue and Qi, Peng-Jia and Zhang, Qing and Zhang, Qing-Wei
          Chemical science, 2022, 13, 4095--4102, 14, Royal Society of Chemistry
        71. Article: Torsional strain inversed chemoselectivity in a Pd-catalyzed atroposelective carbonylation reaction of dibenzothiophenium
          Zhang, Qiuchi and Xue, Xiaoping and Hong, Biqiong and Gu, Zhenhua
          Chemical science, 2022, 13, 3761--3765, 13, Royal Society of Chemistry
        72. Article: Red-Emitting SrGa2O4: Cu2+ Phosphor with Super-Long Persistent Luminescence
          Wang, Lei and Wang, Cailu and Chen, Yang and Jiang, Yang and Chen, Lei and Xu, Jinzhang and Qu, Bingyan and Hintzen, Hubertus T
          Chemistry of Materials, 2022, ACS Publications
        73. Article: Stabilization of Cu2O through Site-Selective Formation of a Co1Cu Hybrid Single-Atom Catalyst
          Wang, Chunlei and Kong, Yuan and Soldemo, Markus and Wu, Zongfang and Tissot, H'eloise and Karagoz, Burcu and Marks, Kess and Stenlid, Joakim Halldin and Shavorskiy, Andrey and Kokkonen, Esko and others
          Chemistry of Materials, 2022, 34, 2313--2320, 5, ACS Publications
        74. Article: A theoretical study on dissociative photoionization and photoionization cross-sections of a typical ketohydroperoxide in n-butane low-temperature oxidation
          Huang, Jiabin and Huang, Can and Hou, Qifeng and Wu, Mengqi and Wu, Xiaoqing and Zhang, Yaogang and Tian, Guangjun and Zhang, Feng
          Combustion and Flame, 2022, 112490, Elsevier
        75. Article: Correlation in quantum chemical calculation and its effect on the uncertainty of theoretically predicted rate coefficients and branching ratios
          Huang, Can and Zhou, Zijun and Yang, Bin and Zhang, Feng
          Combustion and Flame, 2022, 242, 112189, Elsevier
        76. Article: Experimental and kinetic modeling studies of 2-acetylfuran pyrolysis at atmospheric pressure
          He, Wei and Xu, Qiang and Xie, Cheng and Yin, Jiuzheng and Li, Peidong and Wang, Zhandong and Zhang, Lidong and Wei, Lixia
          Combustion and Flame, 2022, 236, 111824, Elsevier
        77. Article: Experimental and kinetic modeling study of the laminar burning velocity of NH3/DME/air premixed flames
          Xiao, Huahua and Li, Huizhen
          Combustion and Flame, 2022, 245, 112372, Elsevier
        78. Article: Kinetics of H-abstraction from isopentanol and subsequent $eta$-dissociation and isomerization
          Wang, Huanhuan and Xing, Lili and Xie, Cheng and Liu, Bingzhi and Wang, Hong and Wang, Zhandong
          Combustion and Flame, 2022, 246, 112393, Elsevier
        79. Article: Laminar burning velocity, Markstein length, and cellular instability of spherically propagating NH3/H2/Air premixed flames at moderate pressures
          Li, Huizhen and Xiao, Huahua and Sun, Jinhua
          Combustion and Flame, 2022, 241, 112079, Elsevier
        80. Article: The reactions of propanal/acetone with hydroperoxyl radicals: A theoretical and modeling study
          Hou, Qifeng and Wu, Xiaoqing and Huang, Can and Liu, Zhongkai and Wu, Mengqi and Zhang, Feng
          Combustion and Flame, 2022, 112018, Elsevier
        81. Article: Thermal decomposition of isopentanol: A theoretical calculation and kinetic modeling analysis
          Wang, Huanhuan and Liu, Bingzhi and Xie, Cheng and Li, Yanbo and Cui, Jintao and Xing, Lili and Wang, Zhandong
          Combustion and Flame, 2022, 245, 112320, Elsevier
        82. Article: Phase-field method of crack branching during SC-CO2 fracturing: A new energy release rate criterion coupling pore pressure gradient
          Xu, WenLong and Yu, Hao and Zhang, JiaNing and Lyu, ChengSi and Wang, Quan and Micheal, Marembo and Wu, HengAn
          Computer Methods in Applied Mechanics and Engineering, 2022, 399, 115366, Elsevier
        83. Article: ElasT: A toolkit for thermoelastic calculations
          Li, Yunguo and Vovcadlo, Lidunka and Brodholt, John P
          Computer Physics Communications, 2022, 273, 108280, Elsevier
        84. Article: KSSOLV 2.0: An efficient MATLAB toolbox for solving the Kohn-Sham equations with plane-wave basis set
          Jiao, Shizhe and Zhang, Zhenlin and Wu, Kai and Wan, Lingyun and Ma, Huanhuan and Li, Jielan and Chen, Sheng and Qin, Xinming and Liu, Jie and Ding, Zijing and others
          Computer Physics Communications, 2022, 108424, Elsevier
        85. Article: MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics
          Li, Yunguo and Ni, Huaiwei
          Computer Physics Communications, 2022, 108599, Elsevier
        86. Article: Recent advances in solid--liquid--gas three-phase interfaces in electrocatalysis for energy conversion and storage
          Jiang, Haosong and Luo, Ruihao and Li, Yimin and Chen, Wei
          EcoMat, 2022, e12199, Wiley Online Library
        87. Article: New Crowding States of Ionic Liquid Induced by Configuration Change of Ion Adsorption on Charged Electrode
          Ma, Jiale and Zhao, Songtao and Li, Zhenyu
          Electrochimica Acta, 2022, 140692, Elsevier
        88. Article: Regulating the sodium storage sites in nitrogen-doped carbon materials by sulfur-doping engineering for sodium ion batteries
          Ding, Gaohui and Li, Zhiqiang and Wei, Lingzhi and Yao, Ge and Niu, Helin and Wang, Changlai and Zheng, Fangcai and Chen, Qianwang
          Electrochimica Acta, 2022, 140645, Elsevier
        89. Article: Formation mechanism and structural characteristic of pore-networks in shale kerogen during in-situ conversion process
          Xu, HengYu and Yu, Hao and Fan, JingCun and Xia, Jun and Liu, He and Wu, HengAn
          Energy, 2022, 242, 122992, Pergamon
        90. Article: Machine learning based heat release rate indicator of premixed methane/air flame under wide range of equivalence ratio
          Zhou, Taotao and Tang, Peng and Ye, Taohong
          Energy, 2022, 126103, Elsevier
        91. Article: A sulfonated ultramicroporous membrane with selective ion transport enables osmotic energy extraction from multiform salt solutions with exceptional efficiency
          Zhu, Qing and Li, Yuanyuan and Qian, Qingling and Zuo, Peipei and Guiver, Michael D and Yang, Zhengjin and Xu, Tongwen
          Energy & Environmental Science, 2022, 15, 4148--4156, 10, Royal Society of Chemistry
        92. Article: Electronic structure regulation of Na2FePO4F cathode toward superior high-rate and high-temperature sodium-ion batteries
          Dong, Jiemin and Xiao, Jingchao and Yu, Yifan and Wang, Junru and Chen, Fei and Wang, Shuo and Zhang, Liming and Ren, Naiqing and Pan, Bicai and Chen, Chunhua
          Energy Storage Materials, 2022, 45, 851--860, Elsevier
        93. Article: nnConcunrent manipulation of anion and cation adsorption kinetics in pancake-like carbon achieves ultrastable potassium ion hybrid capacitors
          Wang, Gongrui and Wang, Wentao and He, Xiaoyue and Li, Jie and Yu, Lai and Peng, Bo and Zhang, Genqiang
          Energy Storage Materials, 2022, 46, 10--19, Elsevier
        94. Article: One-step targeted treatment for Zn flatting and protection
          Fang, Yuting and Lei, Pengcheng and Xing, Haoran and Xu, Kangli and Zhu, Maogen and Fan, Zhechen and Qi, Kaiwen and Wu, Qianyao and Zhu, Yongchun
          Energy Storage Materials, 2022, 53, 13--21, Elsevier
        95. Article: Recent Progress in Organic Species for Redox Flow Batteries
          Li, Zening and Jiang, Taoli and Ali, Mohsin and Wu, Chengxu and Chen, Wei
          Energy Storage Materials, 2022, Elsevier
        96. Article: Tuning electrolyte solvation structures to enable stable aqueous Al/MnO2 battery
          Xu, Yan and Ma, Jiale and Jiang, Taoli and Ding, Honghe and Wang, Weiping and Wang, Mingming and Zheng, Xinhua and Sun, Jifei and Yuan, Yuan and Chuai, Mingyan and others
          Energy Storage Materials, 2022, 47, 113--121, Elsevier
        97. Article: A hybrid numerical approach for hydraulic fracturing in a naturally fractured formation combining the XFEM and phase-field model
          Zhang, JiaNing and Yu, Hao and Xu, WenLong and Lv, ChengSi and Micheal, Marembo and Shi, Fang and Wu, HengAn
          Engineering Fracture Mechanics, 2022, 271, 108621, Elsevier
        98. Article: Large discrepancy between observed and modeled wintertime tropospheric NO2 variabilities due to COVID-19 controls in China
          Chen, Jiaqi and Jiang, Zhe and Li, Rui and Liao, Chenggong and Miyazaki, Kazuyuki and Jones, Dylan BA
          Environmental Research Letters, 2022, 17, 035007, 3, IOP Publishing
        99. Article: The factors controlling equilibrium inter-mineral Ca isotope fractionation: Insights from first-principles calculations
          Xiao, Zi-Cong and Zhou, Chen and Kang, Jin-Ting and Wu, Zhong-Qing and Huang, Fang
          Geochimica et Cosmochimica Acta, 2022, 333, 373--389, Elsevier
        100. Article: Elastic anisotropy of lizardite at subduction zone conditions
          Deng, Xin and Luo, Chenxing and Wentzcovitch, Renata M and Abers, Geoffrey A and Wu, Zhongqing
          Geophysical Research Letters, 2022, 49, e2022GL099712, 18, Wiley Online Library
        101. Article: Oxygen Ion Escape at Venus Associated With Three-Dimensional Kelvin-Helmholtz Instability
          Dang, Tong and Lei, Jiuhou and Zhang, Binzheng and Zhang, Tielong and Yao, Zhonghua and Lyon, John and Ma, Xuanye and Xiao, Sudong and Yan, Maodong and Brambles, Oliver and others
          Geophysical Research Letters, 2022, 49, e2021GL096961, 6, Wiley Online Library
        102. Article: A comparative analysis for a deep learning model (hyDL-CO v1. 0) and Kalman filter to predict CO concentrations in China
          Han, Weichao and He, Tai-Long and Tang, Zhaojun and Wang, Min and Jones, Dylan and Jiang, Zhe
          Geoscientific Model Development, 2022, 15, 4225--4237, 10, Copernicus GmbH
        103. Article: Simulations of aerosol pH in China using WRF-Chem (v4. 0): sensitivities of aerosol pH and its temporal variations during haze episodes
          Ruan, Xueyin and Zhao, Chun and Zaveri, Rahul A and He, Pengzhen and Wang, Xinming and Shao, Jingyuan and Geng, Lei
          Geoscientific Model Development, 2022, 15, 6143--6164, 15, Copernicus GmbH
        104. Article: Ga2OSe monolayer: A promising hydrogen evolution photocatalyst screened from two-dimensional gallium chalcogenides and the derived janus
          Cui, Yu and Li, Mengyuan and Zhang, Xiaoli and Wang, Sufan and Huang, Yucheng
          Green Energy & Environment, 2022, 7, 1045--1052, 5, Elsevier
        105. Article: Oxygen vacancy stabilized Bi2O2CO3 nanosheet for CO2 electroreduction at low overpotential enables energy efficient CO-production of formate
          Zhang, Yangyang and Chen, Yanxu and Liu, Rong and Wang, Xiaowen and Liu, Huanhuan and Zhu, Yin and Qian, Qizhu and Feng, Yafei and Cheng, Mingyu and Zhang, Genqiang
          InfoMat, 2022, e12375, Wiley Online Library
        106. Article: Angular Jahn--Teller Effect and Photoluminescence of the Tetrahedral Coordinated Mn2+ Activators in Solids--A First-Principles Study
          Chen, Qiaoling and Shang, Longbing and Ma, Chong-Geng and Duan, Chang-Kui
          Inorganic Chemistry, 2022, 61, 13471--13480, 34, ACS Publications
        107. Article: Aromatic-Ring-Fused BOPPY Fluorophores: Synthesis, Spectral, Redox Properties, and Bioimaging Application
          Yu, Changjiang and Sun, Yingzhu and Fang, Xingbao and Li, Jiazhu and Wu, Qinghua and Bu, Weibin and Guo, Xing and Wang, Hua and Jiao, Lijuan and Hao, Erhong
          Inorganic Chemistry, 2022, 61, 16718--16729, 42, ACS Publications
        108. Article: Elucidating the Multisite and Multivalence Nature of Mn Ions in Solids and Predicting Their Optical Transition Properties: A Case Study on a Series of Garnet Hosts
          Chen, Qiaoling and Liu, Mingzhe and Shang, Longbing and Duan, Chang-Kui
          Inorganic Chemistry, 2022, ACS Publications
        109. Article: Tunable Photocatalytic Water Splitting Performance of Armchair MoSSe Nanotubes Realized by Polarization Engineering
          Zhang, Jing and Tang, Xiao and Chen, Mingyan and Ma, Dongwei and Ju, Lin
          Inorganic Chemistry, 2022, ACS Publications
        110. Article: Eutectic-derived bimodal porous Ni@ NiO nanowire networks for high-performance Li-ion battery anodes
          Luo, Chang and Wang, Zigang and Chen, Yanxu and Zhao, Yanming and Han, Qiqi and Qin, Chunling and Wang, Zhifeng
          International Journal of Energy Research, 2022, Wiley Online Library
        111. Article: In-situ structural evolution of Bi2O3 nanoparticle catalysts for CO2 electroreduction
          Wang, Hongbo and Tang, Chongyang and Sun, Bo and Liu, Jiangchao and Xia, Yan and Li, Wenqing and Jiang, Changzhong and He, Dong and Xiao, Xiangheng
          International Journal of Extreme Manufacturing, 2022, 4, 035002, 3, IOP Publishing
        112. Article: Effect of length-to-diameter ratio on film cooling and heat transfer performances of simple and compound cylindrical-holes in transverse trenches with various depths
          Huang, Xin and Pu, Jian and Zhang, Tiao and Wang, Jian-Hua and Wu, Wei-Long and Wu, Xiang-Yu
          International Journal of Heat and Mass Transfer, 2022, 185, 122328, Pergamon
        113. Article: Study on the flow and heat transfer characteristics of pin-fin manifold microchannel heat sink
          Pan, Yuhui and Zhao, Rui and Nian, Yongle and Cheng, Wenlong
          International Journal of Heat and Mass Transfer, 2022, 183, 122052, Elsevier
        114. Article: Numerical investigation of a novel multistage swirl cooling conception in blade leading edge of gas turbine
          Yao, Ran and Su, Hang and Cheng, Yun and Wang, Jianhua and Pu, Jian
          International Journal of Thermal Sciences, 2022, 172, 107269, Elsevier
        115. Article: Enhanced solar-driven hydrogen evolution over ultrathin g-C3N4/ReSe2 heterojunction-like nanosheets with surface selenium vacancies
          Wang, Zhengyun and Yang, Fengyi and Ding, Tao and Lee, Ming-Hsien and Yang, Qing
          Journal of Alloys and Compounds, 2022, 165786, Elsevier
        116. Article: Oxidation behaviors and structural evolution of titanium matrix composites with the addition of TiBw/nano-silicide
          Guo, Sai and Liu, Tong and Ma, Fengcang and Luo, Qiquan and Liu, Ping
          Journal of Alloys and Compounds, 2022, 892, 162084, Elsevier
        117. Article: Nucleophilicity Prediction Using Graph Neural Networks
          Nie, Wan and Liu, Deguang and Li, Shuaicheng and Yu, Haizhu and Fu, Yao
          Journal of Chemical Information and Modeling, 2022, 62, 4319--4328, 18, ACS Publications
        118. Article: Enhanced peroxymonosulfate activation by hierarchical porous Fe3O4/Co3S4 nanosheets for efficient elimination of rhodamine B: Mechanisms, degradation pathways and toxicological analysis
          Shi, Xu and Hong, Peidong and Huang, Hongqi and Yang, Dandan and Zhang, Kaisheng and He, Junyong and Li, Yulian and Wu, Zijian and Xie, Chao and Liu, Jinhuai and others
          Journal of Colloid and Interface Science, 2022, 610, 751--765, Academic Press
        119. Article: Galactose conjugated boron dipyrromethene and hydrogen bonding promoted J-aggregates for efficiently targeted NIR-II fluorescence assistant photothermal therapy
          Dang, Huiping and Tian, Youliang and Cheng, Quan and Teng, Changchang and Xie, Kai and Yan, Lifeng
          Journal of Colloid and Interface Science, 2022, 612, 287--297, Elsevier
        120. Article: Nitrogen-rich azoles as trifunctional electrolyte additives for high-performance lithium-sulfur battery
          Wang, Dan-Yang and Wang, Wenmin and Li, Fengli and Li, Xin and Guo, Wei and Fu, Yongzhu
          Journal of Energy Chemistry, 2022, 71, 572--579, Elsevier
        121. Article: Visible-light deposition of CrOx cocatalyst on TiO2: Cr valence regulation for superior photocatalytic CO2 reduction to CH4
          Dong, Jingjing and Kong, Yuan and Cao, Heng and Wang, Zhiyu and Zhang, Zhirong and Zhang, Lidong and Sun, Song and Gao, Chen and Zhu, Xiaodi and Bao, Jun
          Journal of Energy Chemistry, 2022, 64, 103--112, Elsevier
        122. Article: Analytical model of fully developed wind farms in conventionally neutral atmospheric boundary layers
          Li, Chao and Liu, Luoqin and Lu, Xiyun and Stevens, Richard JAM
          Journal of Fluid Mechanics, 2022, 948, A43, Cambridge University Press
        123. Article: Direct numerical simulation of elastic turbulence in the Taylor--Couette flow: transition pathway and mechanistic insight
          Song, Jiaxing and Liu, Nansheng and Lu, Xi-Yun and Khomami, Bamin
          Journal of Fluid Mechanics, 2022, 949, A49, Cambridge University Press
        124. Article: Noise reduction mechanisms for insert-type serrations of the NACA-0012 airfoil
          Hu, Ya-Sen and Wan, Zhen-Hua and Ye, Chuang-Chao and Sun, De-Jun and Lu, Xi-Yun
          Journal of Fluid Mechanics, 2022, 941, Cambridge University Press
        125. Article: Relaminarization of spanwise-rotating viscoelastic plane Couette flow via a transition sequence from a drag-reduced inertial to a drag-enhanced elasto-inertial turbulent flow
          Zhu, Yabiao and Song, Jiaxing and Lin, Fenghui and Liu, Nansheng and Lu, Xiyun and Khomami, Bamin
          Journal of Fluid Mechanics, 2022, 931, Cambridge University Press
        126. Article: Statistical properties of pressure-Hessian tensor in a turbulent channel flow
          Tang, Jiu-Peng and Wan, Zhen-Hua and Liu, Nan-Sheng and Lu, Xi-Yun
          Journal of Fluid Mechanics, 2022, 934, Cambridge University Press
        127. Article: Wall-cooling effects on pressure fluctuations in compressible turbulent boundary layers from subsonic to hypersonic regimes
          Wan, Zhen-Hua and Liu, Nan-Sheng and Sun, De-Jun and Lu, Xi-Yun and others
          Journal of Fluid Mechanics, 2022, 946, A14, Cambridge University Press
        128. Article: Decadal variabilities in tropospheric nitrogen oxides over United States, Europe, and China
          Jiang, Zhe and Zhu, Rui and Miyazaki, Kazuyuki and McDonald, Brian C and Klimont, Zbigniew and Zheng, Bo and Boersma, K Folkert and Zhang, Qiang and Worden, Helen and Worden, John R and others
          Journal of Geophysical Research: Atmospheres, 2022, 127, e2021JD035872, 3, Wiley Online Library
        129. Article: Selenization governs the intrinsic activity of copper-cobalt complexes for enhanced non-radical Fenton-like oxidation toward organic contaminants
          Hong, Peidong and Zhang, Kaisheng and He, Junyong and Li, Yulian and Wu, Zijian and Xie, Chao and Liu, Jinhuai and Kong, Lingtao
          Journal of Hazardous Materials, 2022, 435, 128958, Elsevier
        130. Article: EXPLICIT-Kinase: A gene expression predictor for dissecting the functions of the Arabidopsis kinome
          Peng, Yuming and Zuo, Wanzhu and Zhou, Hui and Miao, Fenfen and Zhang, Yu and Qin, Yue and Liu, Yi and Long, Yu and Ma, Shisong
          Journal of Integrative Plant Biology, 2022, 64, 1374--1393, 7
        131. Article: $eta$-SnS/GaSe heterostructure: a promising solar-driven photocatalyst with low carrier recombination for overall water splitting
          Meng, Jie and Wang, Jiajun and Wang, Jianing and Li, Qunxiang and Yang, Jinlong
          Journal of Materials Chemistry A, 2022, 10, 3443--3453, 7, Royal Society of Chemistry
        132. Article: Charge and spin communication between dual metal single-atom sites on C 2 N sheets: regulating electronic spin moments of Fe atoms for N 2 activation and reduction
          Zhang, Yuqin and Wang, Xiaohang and Liu, Tianyong and Dang, Qian and Zhu, Ling and Luo, Yi and Jiang, Jun and Tang, Shaobin
          Journal of Materials Chemistry A, 2022, 10, 23704--23711, 44, Royal Society of Chemistry
        133. Article: Electron-redistributed Ni--Co oxide nanoarrays as an ORR/OER bifunctional catalyst for low overpotential and long lifespan Li--O 2 batteries
          Wang, Weiwei and Cai, Jinyan and Wan, Hao and Cai, Wenlong and Zhu, Zixuan and Wang, Chengming and Zhou, Tiansheng and Hou, Zhiguo and Zhu, Yongchun and Qian, Yitai
          Journal of Materials Chemistry A, 2022, 10, 14613--14621, 27, Royal Society of Chemistry
        134. Article: Optimizing the nitrogen configuration in interlayer-expanded carbon materials via sulfur-bridged bonds toward remarkable energy storage performances
          Li, Zhiqiang and Yang, Yang and Ding, Gaohui and Wei, Lingzhi and Yao, Ge and Niu, Helin and Zheng, Fangcai and Chen, Qianwang
          Journal of Materials Chemistry A, 2022, 10, 10033--10042, 18, Royal Society of Chemistry
        135. Article: Sulfur incorporation modulated absorption kinetics and electron transfer behavior for nitrogen rich porous carbon nanotubes endow superior aqueous zinc ion storage capability
          Li, Jie and Yu, Lai and Wang, Wentao and He, Xiaoyue and Wang, Gongrui and Liu, Rong and Ma, Xinyi and Zhang, Genqiang
          Journal of Materials Chemistry A, 2022, 10, 9355--9362, 17, Royal Society of Chemistry
        136. Article: Synergistic effect of a diatomic boron-doped layered two-dimensional MSi 2 N 4 monolayer for an efficient electrochemical nitrogen reduction
          Dang, Qian and Zhang, Yuqin and Wang, Xiaohang and Liu, Tianyong and Zhang, Mingjie and Li, Xingxing and Guo, Wei and Tang, Shaobin and Jiang, Jun
          Journal of Materials Chemistry A, 2022, 10, 14820--14827, 28, Royal Society of Chemistry
        137. Article: The role of adsorbed hydroxide reduction in hydrogen evolution and nitrogen reduction reactions in aqueous solution
          Zhao, Yuan and Hu, Min and Li, Huirong and Chu, Binhua and Huang, Yan and Jia, Chuanyi and Zhuo, Zhiwen and Luo, Yi and Jiang, Jun
          Journal of Materials Chemistry A, 2022, 10, 18609--18615, 36, Royal Society of Chemistry
        138. Article: Thgraphene: a novel two-dimensional carbon allotrope as a potential multifunctional material for electrochemical water splitting and potassium-ion batteries
          Wang, Weiyi and Meng, Jie and Hu, Yujie and Wang, Jiajun and Li, Qunxiang and Yang, Jinlong
          Journal of Materials Chemistry A, 2022, 10, 9848--9857, 18, Royal Society of Chemistry
        139. Article: Engineering BODIPY-based near-infrared nanoparticles with large Stokes shifts and aggregation-induced emission characteristics for organelle specific bioimaging
          Guo, Xing and Tang, Bing and Wu, Qinghua and Bu, Weibin and Zhang, Fan and Yu, Changjiang and Jiao, Lijuan and Hao, Erhong
          Journal of Materials Chemistry B, 2022, 10, 5612--5623, 29, Royal Society of Chemistry
        140. Article: Stable twisted conformation aza-BODIPY NIR-II fluorescent nanoparticles with ultra-large Stokes shift for imaging-guided phototherapy
          Tian, Youliang and Zhou, Huiting and Cheng, Quan and Dang, Huiping and Qian, Hongyun and Teng, Changchang and Xie, Kai and Yan, Lifeng
          Journal of Materials Chemistry B, 2022, 10, 707--716, 5, Royal Society of Chemistry
        141. Article: Intrareticular electron coupling pathway driven electrochemiluminescence in hydrogen-bonded organic frameworks
          Hou, Hanlin and Wang, Yunlei and Wang, Yufei and Luo, Rengan and Zhu, Da and Zhou, Jun and Wu, Xiaojun and Ju, Huangxian and Lei, Jianping
          Journal of Materials Chemistry C, 2022, 10, 14488--14495, 39, Royal Society of Chemistry
        142. Article: Efficient separation of (C1--C2) alcohol solutions by graphyne membranes: A molecular simulation study
          Liu, Quan and Zhu, Haipeng and Liu, Gongping and Jin, Wanqin
          Journal of Membrane Science, 2022, 644, 120139, Elsevier
        143. Article: Hydrogen bonding assisted OH- transport under low humidity for rapid start-up in AEMFCs
          Song, Wanjie and Liang, Xian and Zhang, Yang and Zhu, Yanran and Zhang, Fan and Bai, Yuxia and Li, Ming and Zhang, Huaqing and Wei, Chengpeng and Liu, Xiang and others
          Journal of Membrane Science, 2022, 647, 120303, Elsevier
        144. Article: Molecular dynamics insight into phase separation and transport in anion-exchange membranes: Effect of hydrophobicity of backbones
          Zhang, Kaiyu and Yu, WeiSheng and Ge, Xiaolin and Wu, Liang and Xu, Tongwen
          Journal of Membrane Science, 2022, 661, 120922, Elsevier
        145. Article: A new insight into the interaction of hydroxyl radical with supercooled nanodroplet in the atmosphere
          Hadizadeh, Mohammad Hassan and Pan, Zhongyu and Azamat, Jafar
          Journal of Molecular Liquids, 2022, 359, 119261, Elsevier
        146. Article: Competitive adsorption of asphaltene and n-heptane on quartz surfaces and its effect on crude oil transport through nanopores
          Hong, XiangYu and Yu, Hao and Xu, HengYu and Wang, XiaoQi and Jin, Xu and Wu, HengAn and Wang, FengChao
          Journal of Molecular Liquids, 2022, 359, 119312, Elsevier
        147. Article: Hydraulic fracture propagation at weak interfaces between contrasting layers in shale using XFEM with energy-based criterion
          Zhang, JiaNing and Yu, Hao and Wang, Quan and Lv, ChengSi and Liu, Chuang and Shi, Fang and Wu, HengAn
          Journal of Natural Gas Science and Engineering, 2022, 101, 104502, Elsevier
        148. Article: Atomistic investigation on grain boundary effect on helium segregation and clustering in iron
          Sun, Yongjie and Peng, Lei and Shi, Jingyi and Li, Liuliu
          Journal of Nuclear Materials, 2022, 569, 153891, Elsevier
        149. Article: Mechanical properties and phase transition of tungsten with edge dislocation under intensively-electronic excitation
          Wang, JR and Pan, BC
          Journal of Nuclear Materials, 2022, 561, 153540, Elsevier
        150. Article: Nonthermal effects in H-doped tungsten at high electronic temperatures
          Yu, PF and Pan, BC
          Journal of Nuclear Materials, 2022, 568, 153896, Elsevier
        151. Article: A multi-scale quadruple-continuum model for production evaluation of shale gas reservoirs considering complex gas transfer mechanisms and geomechanics
          Micheal, Marembo and Xu, WenLong and Jin, Juan and Yu, Hao and Liu, JianDong and Jiang, WeiDong and Liu, He and Wu, HengAn
          Journal of Petroleum Science and Engineering, 2022, 213, 110419, Elsevier
        152. Article: Fast and accurate reconstruction of large-scale 3D porous media using deep learning
          Zhang, HouLin and Yu, Hao and Meng, SiWei and Huang, MengCheng and Micheal, Marembo and Su, Jian and Liu, He and Wu, HengAn
          Journal of Petroleum Science and Engineering, 2022, 217, 110937, Elsevier
        153. Article: Numerical modeling on friction and wear behaviors of all-metal progressive cavity pump
          Cao, Gang and Zhang, JiaNing and Guo, Yanbao and Liu, Chuang and Micheal, Marembo and Lv, ChengSi and Yu, Hao and Wu, HengAn
          Journal of Petroleum Science and Engineering, 2022, 213, 110443, Elsevier
        154. Article: Permeability prediction of low-resolution porous media images using autoencoder-based convolutional neural network
          Zhang, HouLin and Yu, Hao and Yuan, XinHeng and Xu, HengYu and Micheal, Marembo and Zhang, JiaNing and Shu, HongLin and Wang, GaoCheng and Wu, HengAn
          Journal of Petroleum Science and Engineering, 2022, 208, 109589, Elsevier
        155. Article: Understanding the favorable CO2 tolerance of Ca-doped LaFeO3 perovskite cathode for solid oxide fuel cells
          Su, Mingchao and Huan, Daoming and Hu, Xueyu and Zhu, Kang and Peng, Ranran and Xia, Changrong
          Journal of Power Sources, 2022, 521, 230907, Elsevier
        156. Article: First-principles study on persistent luminescence mechanism of LiYGeO4: Eu3+
          Zhou, Shihang and Lou, Bibo and Ma, Chong-Geng and Yin, Min
          Journal of Rare Earths, 2022, Elsevier
        157. Article: Boron-Templated Synthesis of B (III)-Submonoazaporphyrins: The Hybrids of B (III)-Subporphyrins and B (III)-Subporphyrazines
          Li, Zhongxin and Zhang, Lei and Wu, Qinghua and Li, Heng and Kang, Zhengxin and Yu, Changjiang and Hao, Erhong and Jiao, Lijuan
          Journal of the American Chemical Society, 2022, 144, 6692--6697, 15, ACS Publications
        158. Article: General Synthesis of Tube-like Nanostructured Perovskite Oxides with Tunable Transition Metal--Oxygen Covalency for Efficient Water Electrooxidation in Neutral Media
          Yu, Zi-You and Duan, Yu and Kong, Yuan and Zhang, Xiao-Long and Feng, Xing-Yu and Chen, Yu and Wang, Huijuan and Yu, Xingxing and Ma, Tao and Zheng, Xusheng and others
          Journal of the American Chemical Society, 2022, 144, 13163--13173, 29, ACS Publications
        159. Article: High-Throughput Inverse Design for 2D Ferroelectric Rashba Semiconductors
          Chen, Jiajia and Wu, Kai and Hu, Wei and Yang, Jinlong
          Journal of the American Chemical Society, 2022, ACS Publications
        160. Article: High-Throughput Screening of Rattling-Induced Ultralow Lattice Thermal Conductivity in Semiconductors
          Li, Jielan and Hu, Wei and Yang, Jinlong
          Journal of the American Chemical Society, 2022, 144, 4448--4456, 10, ACS Publications
        161. Article: Ligand-Controlled Cobalt-Catalyzed Regiodivergent Alkyne Hydroalkylation
          Li, Yan and Liu, Deguang and Wan, Lei and Zhang, Jun-Yang and Lu, Xi and Fu, Yao
          Journal of the American Chemical Society, 2022, 144, 13961--13972, 30, ACS Publications
        162. Article: Periodic One-Dimensional Single-Atom Arrays
          Wang, Lingxiao and Wang, Jing and Gao, Xiaoping and Chen, Cai and Da, Yunli and Wang, Sicong and Yang, Jia and Wang, Zhiyuan and Song, Jia and Yao, Tao and others
          Journal of the American Chemical Society, 2022, 144, 15999--16005, 35, ACS Publications
        163. Article: Phosphorus-Doped Single-Crystalline Quaternary Sulfide Nanobelts Enable Efficient Visible-Light Photocatalytic Hydrogen Evolution
          Wu, Liang and Su, Fuhai and Liu, Tian and Liu, Guo-Qiang and Li, Yi and Ma, Tao and Wang, Yunfeng and Zhang, Chong and Yang, Yuan and Yu, Shu-Hong
          Journal of the American Chemical Society, 2022, ACS Publications
        164. Article: Quantitatively Determining Surface--Adsorbate Properties from Vibrational Spectroscopy with Interpretable Machine Learning
          Wang, Xijun and Jiang, Shuang and Hu, Wei and Ye, Sheng and Wang, Tairan and Wu, Fan and Yang, Li and Li, Xiyu and Zhang, Guozhen and Chen, Xin and others
          Journal of the American Chemical Society, 2022, 144, 16069--16076, 35, ACS Publications
        165. Article: Room-temperature photooxidation of CH4 to CH3OH with nearly 100\% selectivity over hetero-ZnO/Fe2O3 porous nanosheets
          Zheng, Kai and Wu, Yang and Zhu, Juncheng and Wu, Mingyu and Jiao, Xingchen and Li, Li and Wang, Shumin and Fan, Minghui and Hu, Jun and Yan, Wensheng and others
          Journal of the American Chemical Society, 2022, 144, 12357--12366, 27, ACS Publications
        166. Article: Surface Anion Promotes Pt Electrocatalysts with High CO Tolerance in Fuel-Cell Performance
          Cheng, Han and Xia, Jun and Wang, Minghao and Wang, Chun and Gui, Renjie and Cao, Xuemin and Zhou, Tianpei and Zheng, Xusheng and Chu, Wangsheng and Wu, HengAn and others
          Journal of the American Chemical Society, 2022, ACS Publications
        167. Article: Tuning the Electronic and Steric Interaction at the Atomic Interface for Enhanced Oxygen Evolution
          Feng, Chen and Zhang, Zhirong and Wang, Dongdi and Kong, Yuan and Wei, Jie and Wang, Ruyang and Ma, Peiyu and Li, Hongliang and Geng, Zhigang and Zuo, Ming and others
          Journal of the American Chemical Society, 2022, ACS Publications
        168. Article: A general theory for the bending of multilayer van der Waals materials
          Huang, ZiChen and He, ZeZhou and Zhu, YinBo and Wu, HengAn
          Journal of the Mechanics and Physics of Solids, 2022, 105144, Elsevier
        169. Article: A universal mechanical framework for noncovalent interface in laminated nanocomposites
          He, ZeZhou and Zhu, YinBo and Wu, HengAn
          Journal of the Mechanics and Physics of Solids, 2022, 158, 104560, Elsevier
        170. Article: Adhesion of graded elastic materials: A full self-consistent model and its application
          Zhu, Yudong and Zheng, Zhijun and Huang, Chenguang and Yu, Jilin
          Journal of the Mechanics and Physics of Solids, 2022, 169, 105078, Elsevier
        171. Article: Low-bandgap small molecule acceptors with asymmetric side chains
          Zong, Guanhua and Li, Mingjie and Jin, Ke and Xu, Zhiwei and Zhang, Lixiu and Ma, Ning and Wang, Jilin and Wang, Guan-Wu and Xiao, Zuo and Ding, Liming
          Materials Chemistry Frontiers, 2022, 6, 1858--1864, 13, Royal Society of Chemistry
        172. Article: Constructing holey $gamma$-Fe2O3 nanosheets with enhanced capability for microwave absorption
          Zhang, H and Xu, J and Wang, S and Liu, Q and Kong, X
          Materials Today Chemistry, 2022, 23, 100690, Elsevier
        173. Article: Enhanced photostability in protonated covalent organic frameworks for singlet oxygen generation
          Shi, Tian and Wang, Hui and Li, Lei and Zhao, Zhi and Wang, Chengming and Zhang, Xiaodong and Xie, Yi
          Matter, 2022, 5, 1004--1015, 3, Elsevier
        174. Article: In situ TEM visualization of LiF nanosheet formation on the cathode-electrolyte interphase (CEI) in liquid-electrolyte lithium-ion batteries
          Zhang, Qingyong and Ma, Jiale and Mei, Liang and Liu, Jun and Li, Zhenyu and Li, Ju and Zeng, Zhiyuan
          Matter, 2022, 5, 1235--1250, 4, Elsevier
        175. Article: Mitigation of the ablative Rayleigh--Taylor instability by nonlocal electron heat transport
          Li, Jun and Yan, Rui and Zhao, Bin and Zheng, Jian and Zhang, Huasen and Lu, Xiyun
          Matter and Radiation at Extremes, 2022, 7, 055902, 5, China Academy of Engineering Physics
        176. Article: Functionalized GO Membranes for Efficient Separation of Acid Gases from Natural Gas: A Computational Mechanistic Understanding
          Liu, Quan and Yang, Zhonglian and Liu, Gongping and Sun, Longlong and Xu, Rong and Zhong, Jing
          Membranes, 2022, 12, 1155, 11, MDPI
        177. Article: Atomic Tuning of Single-Atom Fe--N--C Catalysts with Phosphorus for Robust Electrochemical CO2 Reduction
          Li, Ke and Zhang, Shengbo and Zhang, Xiuli and Liu, Shuang and Jiang, Haosong and Jiang, Taoli and Shen, Chunyue and Yu, Yi and Chen, Wei
          Nano Letters, 2022, 22, 1557--1565, 4, ACS Publications
        178. Article: Enhanced Curie Temperature of Two-Dimensional Cr (II) Aromatic Heterocyclic Metal--Organic Framework Magnets via Strengthened Orbital Hybridization
          Lv, Haifeng and Li, Xiangyang and Wu, Daoxiong and Liu, Ying and Li, Xingxing and Wu, Xiaojun and Yang, Jinlong
          Nano Letters, 2022, 22, 1573--1579, 4, ACS Publications
        179. Article: Facile Fabrication of Bifunctional Hydrogen Catalytic Electrodes for Long-Life Nickel--Hydrogen Gas Batteries
          Jiang, Taoli and Li, Ke and Park, Sunhyeong and Zheng, Kai and Meng, Yahan and Yuan, Yuan and Liu, Zaichun and Zhu, Zhengxin and Zheng, Xinhua and Liu, Shuang and others
          Nano Letters, 2022, 22, 1741--1749, 4, ACS Publications
        180. Article: Kekul'e Lattice in Graphdiyne: Coexistence of Phononic and Electronic Second-Order Topological Insulator
          Mu, Haimen and Liu, Bing and Hu, Tianyi and Wang, Zhengfei
          Nano Letters, 2022, 22, 1122--1128, 3, ACS Publications
        181. Article: Monitoring Electron Flow in Nickel Single-Atom Catalysts during Nitrogen Photofixation
          Wang, Qingyu and Xiao, Yu and Yang, Shaokang and Zhang, Yida and Wu, Lihui and Pan, Haibin and Rao, Dewei and Chen, Tao and Sun, Zhihu and Wang, Gongming and others
          Nano Letters, 2022, ACS Publications
        182. Article: Nucleophilic Interfacial Layer Enables Stable Zn Anodes for Aqueous Zn Batteries
          Xu, Yan and Zheng, Xinhua and Sun, Jifei and Wang, Weiping and Wang, Mingming and Yuan, Yuan and Chuai, Mingyan and Chen, Na and Hu, Hanlin and Chen, Wei
          Nano Letters, 2022, 22, 3298--3306, 8, ACS Publications
        183. Article: Strengthened d--p Orbital Hybridization through Asymmetric Coordination Engineering of Single-Atom Catalysts for Durable Lithium--Sulfur Batteries
          Liu, Genlin and Wang, Wenmin and Zeng, Pan and Yuan, Cheng and Wang, Lei and Li, Hongtai and Zhang, Hao and Sun, Xuhui and Dai, Kehua and Mao, Jing and others
          Nano Letters, 2022, 22, 6366--6374, 15, ACS Publications
        184. Article: Surface-Oxygen-Rich Bi@ C Nanoparticles for High-Efficiency Electroreduction of CO2 to Formate
          Liu, Shuang and Fan, Yanpeng and Wang, Ying and Jin, Song and Hou, Machuan and Zeng, Wenjiang and Li, Ke and Jiang, Taoli and Qin, Lang and Yan, Zhenhua and others
          Nano Letters, 2022, ACS Publications
        185. Article: Unraveling the Synergistic Effect of Heteroatomic Substitution and Vacancy Engineering in CoFe2O4 for Superior Electrocatalysis Performance
          Sun, Jing and Xue, Hui and Zhang, YiFei and Zhang, Xiao-Long and Guo, Niankun and Song, Tianshan and Dong, Hongliang and Kong, Yuan and Zhang, Jiangwei and Wang, Qin
          Nano Letters, 2022, 22, 3503--3511, 8, ACS Publications
        186. Article: A chiral salen-Co (II) complex as soluble redox mediator for promoting the electrochemical performance of Li-O2 batteries
          Wan, Hao and Sun, Yingjie and Yu, Jia and Shi, Qianqi and Zhu, Yongchun and Qian, Yitai
          Nano Research, 2022, 15, 8101--8108, 9, Springer
        187. Article: Acid-stable antimonate based catalysts for the electrocatalytic oxygen evolution reaction
          Gao, Xiaoping and Zhou, Huang and Wang, Zhe and Zhou, Gang and Wang, Jin and Wu, Yuen
          Nano Research, 2022, 清華大學出版社
        188. Article: Asymmetrical $pi$ back-donation of hetero-dicationic Mo4+-Mo6+ pairs for enhanced electrochemical nitrogen reduction
          Tan, Hao and Ji, Qianqian and Wang, Chao and Duan, Hengli and Kong, Yuan and Wang, Yao and Feng, Sihua and Lv, Liyang and Hu, Fengchun and Zhang, Wenhua and others
          Nano Research, 2022, 15, 3010--3016, 4, Tsinghua University Press
        189. Article: Charge density wave phase suppression in 1T-TiSe2 through Sn intercalation
          Adam, Mukhtar Lawan and Zhu, Hongen and Liu, Zhanfeng and Cui, Shengtao and Zhang, Pengjun and Liu, Yi and Zhang, Guobin and Wu, Xiaojun and Sun, Zhe and Song, Li
          Nano Research, 2022, 15, 2643--2649, 3, Tsinghua University Press
        190. Article: Dual-metal atoms embedded into two-dimensional covalent organic framework as efficient electrocatalysts for oxygen evolution reaction: A DFT study
          Zhou, Yanan and Chen, Lanlan and Sheng, Li and Luo, Qiquan and Zhang, Wenhua and Yang, Jinlong
          Nano Research, 2022, 15, 7994--8000, 9, Springer
        191. Article: Insights into the effect of substrate adsorption behavior over heme-like Fe1/AC single-atom catalyst
          Duan, Jianglin and Zhou, Yanan and Ren, Yujing and Feng, Dan and Shang, Jinlong and Ge, Huibin and Gao, Jie and Yang, Jinlong and Qin, Yong
          Nano Research, 2022, 1--7, Springer
        192. Article: Molecular levers enable anomalously enhanced strength and toughness of cellulose nanocrystal at cryogenic temperature
          Hou, YuanZhen and Xia, Jun and He, ZeZhou and Zhu, YinBo and Wu, HengAn
          Nano Research, 2022, 清華大學出版社
        193. Article: Rational design of a hollow porous structure for enhancing diffusion kinetics of K ions in edge-nitrogen doped carbon nanorods
          Niu, Ping and Yang, Yang and Li, Zhiqiang and Ding, Gaohui and Wei, Lingzhi and Yao, Ge and Niu, Helin and Min, Yulin and Zheng, Fangcai and Chen, Qianwang
          Nano Research, 2022, 15, 8109--8117, 9, Springer
        194. Article: Surface modification of MoS2 nanosheets by single Ni atom for ultrasensitive dopamine detection
          Sun, Xuejiao and Chen, Cai and Xiong, Can and Zhang, Congmin and Zheng, Xusheng and Wang, Jin and Gao, Xiaoping and Yu, Zhen-Qiang and Wu, Yuen
          Nano Research, 2022, 1--8, Springer
        195. Article: Theoretical insights into strong intrinsic piezoelectricity of blue-phosphorus-like group-IV monochalcogenides
          Dai, Yuxin and Zhang, Xiaoli and Cui, Yu and Li, Mengyuan and Luo, Yao and Jiang, Fan and Zhao, Renqiang and Huang, Yucheng
          Nano Research, 2022, 15, 209--216, 1, Tsinghua University Press
        196. Article: Tuning the reaction path of CO2 electroreduction reaction on indium single-atom catalyst: Insights into the active sites
          Zhang, Jiawei and Zeng, Gangming and Chen, Lanlan and Lai, Wenchuan and Yuan, Yuliang and Lu, Yangfan and Ma, Chao and Zhang, Wenhua and Huang, Hongwen
          Nano Research, 2022, 15, 4014--4022, 5, Springer
        197. Article: Controlling the nucleation and growth of ultrasmall metal nanoclusters with MoS 2 grain boundaries
          Shi, Yongliang and Rabbani, Muztoba and V'azquez-Mayagoitia, 'Alvaro and Zhao, Jin and Saidi, Wissam A
          Nanoscale, 2022, 14, 617--625, 3, Royal Society of Chemistry
        198. Article: Designing Ferrimagnetic-Ferroelastic Multiferroic Semiconductor in FeMoClO 4 Nanosheet via Element Substitution
          Yan, Lijuan and Liu, Xiaofeng and Gao, Pengfei and Li, Xiangyang and Li, Xingxing
          Nanoscale, 2022, Royal Society of Chemistry
        199. Article: Direct conversion of methane to methanol on boron nitride-supported copper single atoms
          Wang, Sanmei and Xin, Yue and Yuan, Jinyun and Wang, Liangbing and Zhang, Wenhua
          Nanoscale, 2022, 14, 5447--5453, 14, Royal Society of Chemistry
        200. Article: Structural design enabled a hypotoxic Na 3.36 FeV (PO 4) 3 cathode with ultra-fast and ultra-long sodium storage
          Zhang, Li-Ming and Cao, Kuo and Wang, Shuo and Chen, Fei and Dong, Jie-Min and Ren, Nai-Qing and Li, Yi-Xuan and Wen, Zhao-Yin and Chen, Chun-Hua
          Nanoscale, 2022, Royal Society of Chemistry
        201. Article: An all-round AI-Chemist with a scientific mind
          Zhu, Qing and Zhang, Fei and Huang, Yan and Xiao, Hengyu and Zhao, LuYuan and Zhang, XuChun and Song, Tao and Tang, XinSheng and Li, Xiang and He, Guo and others
          National Science Review, 2022, 9, nwac190, 10, Oxford University Press
        202. Article: Hierarchical Palladium Catalyst for Highly Active and Stable Water Oxidation in Acidic Media
          Peng, Jing and Sun, Haofeng and Ni, Kun and Wu, Jiajing and Sun, Xinyu and Su, Yueqi and Cheng, Han and Liu, Yuhua and Guo, Yuqiao and Bi, Wentuan and others
          National Science Review, 2022
        203. Article: Surface modification of ZnIn2S4 layers to realise energy transfer-mediated photocatalysis
          Sun, Xianshun and Luo, Xiao and Jin, Sen and Zhang, Xiaodong and Wang, Hui and Shao, Wei and Wu, Xiaojun and Xie, Yi
          National Science Review, 2022
        204. Article: A backbone-centred energy function of neural networks for protein design
          Huang, Bin and Xu, Yang and Hu, Xiuhong and Liu, Yongrui and Liao, Shanhui and Zhang, Jiahai and Huang, Chengdong and Hong, Jingjun and Chen, Quan and Liu, Haiyan
          Nature, 2022, 602, 523--528, 7897, Nature Publishing Group
        205. Article: A single-Pt-atom-on-Ru-nanoparticle electrocatalyst for CO-resilient methanol oxidation
          Poerwoprajitno, Agus R and Gloag, Lucy and Watt, John and Cheong, Soshan and Tan, Xin and Lei, Han and Tahini, Hassan A and Henson, Aaron and Subhash, Bijil and Bedford, Nicholas M and others
          Nature Catalysis, 2022, 5, 231--237, 3, Nature Publishing Group
        206. Article: A library of polytypic copper-based quaternary sulfide nanocrystals enables efficient solar-to-hydrogen conversion
          Wu, Liang and Wang, Qian and Zhuang, Tao-Tao and Zhang, Guo-Zhen and Li, Yi and Li, Hui-Hui and Fan, Feng-Jia and Yu, Shu-Hong
          Nature communications, 2022, 13, 1--8, 1, Nature Publishing Group
        207. Article: A new class of bilayer kagome lattice compounds with Dirac nodal lines and pressure-induced superconductivity
          Shi, Mengzhu and Yu, Fanghang and Yang, Ye and Meng, Fanbao and Lei, Bin and Luo, Yang and Sun, Zhe and He, Junfeng and Wang, Rui and Jiang, Zhicheng and others
          Nature communications, 2022, 13, 1--7, 1, Nature Publishing Group
        208. Article: Coordination modulation of iridium single-atom catalyst maximizing water oxidation activity
          Lei, Zhanwu and Cai, Wenbin and Rao, Yifei and Wang, Kuan and Jiang, Yuyuan and Liu, Yang and Jin, Xu and Li, Jianming and Lv, Zhengxing and Jiao, Shuhong and others
          Nature communications, 2022, 13, 1--10, 1, Nature Publishing Group
        209. Article: High-performance photocatalytic nonoxidative conversion of methane to ethane and hydrogen by heteroatoms-engineered TiO2
          Zhang, Wenqing and Fu, Cenfeng and Low, Jingxiang and Duan, Delong and Ma, Jun and Jiang, Wenbin and Chen, Yihong and Liu, Hengjie and Qi, Zeming and Long, Ran and others
          Nature communications, 2022, 13, 1--9, 1, Nature Publishing Group
        210. Article: NiH-catalysed proximal-selective hydroalkylation of unactivated alkenes and the ligand effects on regioselectivity
          Wang, Xiao-Xu and Xu, Yuan-Tai and Zhang, Zhi-Lin and Lu, Xi and Fu, Yao
          Nature communications, 2022, 13, 1--10, 1, Nature Publishing Group
        211. Article: Production of a hybrid capacitive storage device via hydrogen gas and carbon electrodes coupling
          Zhu, Zhengxin and Liu, Zaichun and Yin, Yichen and Yuan, Yuan and Meng, Yahan and Jiang, Taoli and Peng, Qia and Wang, Weiping and Chen, Wei
          Nature communications, 2022, 13, 1--10, 1, Nature Publishing Group
        212. Article: Quantum-enhanced radiometry via approximate quantum error correction
          Wang, W and Chen, Z-J and Liu, X and Cai, W and Ma, Y and Mu, X and Pan, X and Hua, Z and Hu, L and Xu, Y and others
          Nature Communications, 2022, 13, 1--8, 1, Nature Publishing Group
        213. Article: Selectively anchoring single atoms on specific sites of supports for improved oxygen evolution
          Zhang, Zhirong and Feng, Chen and Wang, Dongdi and Zhou, Shiming and Wang, Ruyang and Hu, Sunpei and Li, Hongliang and Zuo, Ming and Kong, Yuan and Bao, Jun and others
          Nature communications, 2022, 13, 1--10, 1, Nature Publishing Group
        214. Article: Simultaneous nanocatalytic surface activation of pollutants and oxidants for highly efficient water decontamination
          Zhang, Ying-Jie and Huang, Gui-Xiang and Winter, Lea R and Chen, Jie-Jie and Tian, Lili and Mei, Shu-Chuan and Zhang, Ze and Chen, Fei and Guo, Zhi-Yan and Ji, Rong and others
          Nature Communications, 2022, 13, 1--13, 1, Nature Publishing Group
        215. Article: Slab control on the mega-sized North Pacific ultra-low velocity zone
          Li, Jiewen and Sun, Daoyuan and Bower, Dan J
          Nature communications, 2022, 13, 1--11, 1, Nature Publishing Group
        216. Article: Unraveling of cocatalysts photodeposited selectively on facets of BiVO4 to boost solar water splitting
          Qi, Yu and Zhang, Jiangwei and Kong, Yuan and Zhao, Yue and Chen, Shanshan and Li, Deng and Liu, Wei and Chen, Yifan and Xie, Tengfeng and Cui, Junyan and others
          Nature Communications, 2022, 13, 1--9, 1, Nature Publishing Group
        217. Article: Benchmarking spatial and single-cell transcriptomics integration methods for transcript distribution prediction and cell type deconvolution
          Li, Bin and Zhang, Wen and Guo, Chuang and Xu, Hao and Li, Longfei and Fang, Minghao and Hu, Yinlei and Zhang, Xinye and Yao, Xinfeng and Tang, Meifang and others
          Nature Methods, 2022, 1--9, Nature Publishing Group
        218. Article: Antiferromagnetic second-order topological insulator with fractional mass-kink
          Mu, Haimen and Zhao, Gan and Zhang, Huimin and Wang, Zhengfei
          npj Computational Materials, 2022, 8, 1--7, 1, Nature Publishing Group
        219. Article: Divertor plasma behaviors with neon seeding at different locations on EAST with ITER-like divertor
          Meng, Lingyi and Wang, Liang and Wang, HQ and Deng, Guozhong and Si, Hang and Li, Kedong and Xu, Guo Sheng and Yuan, QP and Guo, Houyang and Eldon, David and others
          Nuclear Fusion, 2022, IOP Publishing
        220. Article: Modelling of tungsten impurity edge transport and screening for different divertor conditions in EAST
          Wang, Hui and Xu, Guoliang and Ding, Rui and Liu, Xiaoju and Si, Hang and Zhang, Qing and Ding, Fang and Zhu, Dahuan and Yan, Rong and Xie, Hai and others
          Nuclear Fusion, 2022, 62, 126018, 12, IOP Publishing
        221. Article: Simulation study of the influence of upstream density and power in the scrape-off layer on the double-peaked density profile at the divertor target
          Guo, Jin and Mao, Shifeng and Jia, Guozhang and Meng, Lingyi and Li, Ang and Xu, Jichan and Xu, Guosheng and Ye, Minyou
          Nuclear Fusion, 2022, 62, 126051, 12, IOP Publishing
        222. Article: SOLPS-ITER simulations of high power exhaust for CFETR divertor with full drifts
          Si, Hang and Ding, Rui and Senichenkov, Ilya and Rozhansky, Vladimir and Molchanov, Pavel and Liu, Xiaoju and Jia, Guozhang and Sang, Chaofeng and Mao, Shifeng and Chan, Vincent and others
          Nuclear Fusion, 2022, 62, 026031, 2, IOP Publishing
        223. Article: The simulation of ELM suppression by ion cyclotron resonance heating in EAST using BOUT++
          Li, YL and Xia, TY and Zou, XL and Zhang, XJ and Zhou, C and Mao, SF and Gui, B and Huang, YQ and Hu, GH and Ye, MY and others
          Nuclear Fusion, 2022, 62, 066043, 6, IOP Publishing
        224. Article: The simulation of ELMs mitigation by pedestal coherent mode in EAST using BOUT++
          Li, Yanlong and Xia, TY and Zou, Xiao Lan and Zhou, Chu and Zhang, Xinjun and Zhu, Yiren and Tang, Tengfei and Mao, Shifeng and Gui, Bin and Huang, YQ and others
          Nuclear Fusion, 2022, IOP Publishing
        225. Article: Triggering of tearing instability by impurity radiation through resistive interchange reversal in a tokamak
          Zeng, Shiyong and Zhu, Ping and Zhou, Ruijie and Escande, Dominique Franck
          Nuclear Fusion, 2022, IOP Publishing
        226. Article: Comparative modeling studies of carbon and tungsten impurity transport in the boundary plasma of EAST with a partially detached divertor condition
          Xu, Guoliang and Wang, Hui and Ding, Rui and Liu, Xiaoju and Si, Hang and Zhu, Dahuan and Yan, Rong and Hai, Ran and Xie, Hai and Chen, Junling
          Nuclear Materials and Energy, 2022, 33, 101259, Elsevier
        227. Article: Interstitial hydrogen atoms in W-nitride compounds promoting the formation of atomic vacancies in nuclear fusion reactors
          Ye, XB and Pan, BC
          Nuclear Materials and Energy, 2022, 32, 101229, Elsevier
        228. Article: Molecular mechanism underlying the di-uridylation activity of Arabidopsis TUTase URT1
          Hu, Qian and Yang, Huiru and Li, Mingwei and Zhu, Lingru and Lv, Mengqi and Li, Fudong and Zhang, Zhiyong and Ren, Guodong and Gong, Qingguo
          Nucleic Acids Research, 2022, 50, 10614--10625, 18, Oxford University Press
        229. Article: Efficient enantioselective synthesis of trisubstituted $gamma$-lactam via the Michael addition reaction of 2, 3-dioxopyrrolidine with indole in aqueous media
          Mansaray, John Kamanda and Huang, Yekai and Li, Kuiliang and Sun, Xiang and Zha, Zhenggen and Wang, Zhiyong
          Organic & Biomolecular Chemistry, 2022, 20, 5510--5514, 28, Royal Society of Chemistry
        230. Article: A mechanistic study on the regioselective Ni-catalyzed methylation--alkenylation of alkyne with AlMe 3 and allylic alcohol
          Liu, Jiao and Liu, Deguang and Nie, Wan and Yu, Haizhu and Shi, Jing
          Organic Chemistry Frontiers, 2022, 9, 163--172, 1, Royal Society of Chemistry
        231. Article: Mechanistic insights into the rhodium-catalyzed aryl C--H carboxylation
          Liu, DeGuang and Xu, ZheYuan and Liu, MingQiang and Fu, Yao
          Organic Chemistry Frontiers, 2022, 9, 370--379, 2, Royal Society of Chemistry
        232. Article: Copper-Catalyzed Stereoselective [4+ 2] Cycloaddition of $eta$, $gamma$-Unsaturated $alpha$-Keto Esters and 2-Vinylpyrroles in Water
          Zhao, Shuangshuang and Li, Kuiliang and Sun, Xiang and Zha, Zhenggen and Wang, Zhiyong
          Organic Letters, 2022, ACS Publications
        233. Article: Electrosynthesis of Decorated Basket Molecules:[60] Fullerene-Fused 12-Membered Macrolactones
          Niu, Chuang and Xu, Zhiwei and Huang, Xinmin and Wang, Wei-Feng and Yin, Zheng-Chun and Wang, Guan-Wu
          Organic Letters, 2022, 24, 5530--5534, 30, ACS Publications
        234. Article: Unexpected Formation of Pyrazoline-Fused Metallofullerenes from the Multicomponent Cascade Reaction of Sc3N@ I h-C80 with Tetrazines, Water, and Oxygen
          Niu, Chuang and Liu, Zhan and Chen, Muqing and Yang, Shangfeng and Wang, Guan-Wu
          Organic Letters, 2022, ACS Publications
        235. Article: Pressure effects on the thermal decomposition of the LLM-105 crystal
          Wang, Junke and Gao, Chan and Xu, Zilong and Zhong, Cheng and Dai, Rucheng and Wang, Zhongping and Li, Hongzhen and Zhang, Zengming
          Physical Chemistry Chemical Physics, 2022, 24, 2396--2402, 4, Royal Society of Chemistry
        236. Article: Stereodynamics of adiabatic and non-adiabatic energy transfer in a molecule surface encounter
          Zhang, Yaolong and Box, Connor L and Sch"afer, Tim and Kandratsenka, Alexander and Wodtke, Alec M and Maurer, Reinhard J and Jiang, Bin
          Physical Chemistry Chemical Physics, 2022, 24, 19753--19760, 33, Royal Society of Chemistry
        237. Article: The photoluminescence of isolated and paired Bi 3+ ions in layered LnOCl crystals: a first-principles study
          Chen, Qiaoling and Feng, Zhaoyang and Liu, MingZhe and Lou, Bibo and Ma, Chong-Geng and Duan, Chang-Kui
          Physical Chemistry Chemical Physics, 2022, 24, 14064--14071, 22, Royal Society of Chemistry
        238. Article: The surface reconstruction induced enhancement of the oxygen evolution reaction on $alpha$-SnWO 4 (010) based on a density functional theory study
          Wang, Wentao and Wu, Yonggang and Chen, Deliang and Liu, Hongling and Xu, Mei and Liu, Xuefei and Xin, Lipeng
          Physical Chemistry Chemical Physics, 2022, 24, 19382--19392, 32, Royal Society of Chemistry
        239. Article: Two-and three-body fragmentation of multiply charged tribromomethane by ultrafast laser pulses
          Bhattacharyya, Surjendu and Borne, Kurtis and Ziaee, Farzaneh and Pathak, Shashank and Wang, Enliang and Venkatachalam, Anbu Selvam and Marshall, Nathan and Carnes, Kevin D and Fehrenbach, Charles W and Severt, Travis and others
          Physical Chemistry Chemical Physics, 2022, Royal Society of Chemistry
        240. Article: Measurement of the absolute branching fraction of the singly Cabibbo suppressed decay $Lambda$ c+→ p $eta$′
          Ablikim, M and Achasov, MN and Adlarson, Patrik and Albrecht, Malte and Aliberti, Riccardo and Amoroso, A and An, MR and An, Q and Bai, XH and Bai, Y and others
          Physical Review D, 2022, 106, 072002, 7, APS
        241. Article: Measurement of the C P-even fraction of D 0→ $pi$+ $pi$- $pi$+ $pi$-
          Ablikim, M and Achasov, MN and Adlarson, P and Albrecht, M and Aliberti, R and Amoroso, A and An, MR and An, Q and Bai, XH and Bai, Y and others
          Physical Review D, 2022, 106, 092004, 9, APS
        242. Article: Measurement of the e+ e-→ $omega$ $pi$ 0 $pi$ 0 cross section at center-of-mass energies from 2.0 to 3.08 GeV
          Ablikim, M and Achasov, MN and Adlarson, P and Albrecht, M and Aliberti, R and Amoroso, A and An, MR and An, Q and Bai, XH and Bai, Y and others
          Physical Review D, 2022, 105, 032005, 3, APS
        243. Article: Search for a C P-odd light Higgs boson in J/$psi$→ $gamma$ A 0
          Ablikim, M and Achasov, MN and Adlarson, P and Ahmed, S and Albrecht, M and Aliberti, R and Amoroso, A and An, MR and An, Q and Bai, XH and others
          Physical Review D, 2022, 105, 012008, 1, American Physical Society
        244. Article: Search for a massless dark photon in $Lambda$ c+→ p $gamma$′ decay
          Ablikim, M and Achasov, MN and Adlarson, P and Albrecht, M and Aliberti, R and Amoroso, A and An, MR and An, Q and Bai, XH and Bai, Y and others
          Physical Review D, 2022, 106, 072008, 7, APS
        245. Article: Chern Number Tunable Quantum Anomalous Hall Effect in Monolayer Transitional Metal Oxides via Manipulating Magnetization Orientation
          Li, Zeyu and Han, Yulei and Qiao, Zhenhua
          Physical Review Letters, 2022, 129, 036801, 3, APS
        246. Article: Fano-like Resonance due to Interference with Distant Transitions
          Lv, Y-N and Liu, A-W and Tan, Y and Hu, C-L and Hua, T-P and Zou, X-B and Sun, YR and Zou, C-L and Guo, G-C and Hu, S-M and others
          Physical Review Letters, 2022, 129, 163201, 16, APS
        247. Article: First Measurement of Polarizations in the Decay D 0→ $omega$ $varphi$
          Ablikim, M and Achasov, MN and Adlarson, P and Ahmed, S and Albrecht, M and Aliberti, R and Amoroso, A and An, MR and An, Q and Bai, XH and others
          Physical review letters, 2022, 128, 011803, 1, APS
        248. Article: First Measurement of Polarizations in the Decay D-0-> omega phi
          BESIII Collaboration and others
          Physical Review Letters, 2022, Amer Physical Soc.
        249. Article: Measurement of the Absolute Branching Fraction and Decay Asymmetry of $Lambda$→ n $gamma$
          Ablikim, M and Achasov, MN and Adlarson, P and Albrecht, M and Aliberti, R and Amoroso, A and An, MR and An, Q and Bai, XH and Bai, Y and others
          Physical Review Letters, 2022, 129, 212002, 21, APS
        250. Article: Measurement of the Cross Section for e+ e-→ Hadrons at Energies from 2.2324 to 3.6710 GeV
          Ablikim, M and Achasov, MN and Adlarson, P and Ahmed, S and Albrecht, M and Aliberti, R and Amoroso, A and An, MR and An, Q and Bai, XH and others
          Physical review letters, 2022, 128, 062004, 6, American Physical Society
        251. Article: Observation of the Singly Cabibbo Suppressed Decay $Lambda$ c+→ n $pi$+
          Ablikim, M and Achasov, MN and Adlarson, P and Ahmed, S and Albrecht, M and Aliberti, R and Amoroso, A and An, MR and An, Q and Bai, XH and others
          Physical Review Letters, 2022, 128, 142001, 14, APS
        252. Article: Single-Mode Photon Blockade Enhanced by Bi-Tone Drive
          Li, Ming and Zhang, Yan-Lei and Wu, Shu-Hao and Dong, Chun-Hua and Zou, Xu-Bo and Guo, Guang-Can and Zou, Chang-Ling
          Physical Review Letters, 2022, 129, 043601, 4, APS
        253. Article: Measurement of the e (+) e (-)-> Sigma (0)(Sigma) over-bar (0) cross sections at center-of-mass energies from 2.3864 to 3.0200 GeV
          Ablikim, M and Adlarson, Patrik and Biernat, Jacek and Ikegami Andersson, Walter and Johansson, Tord and Kupsc, Andrzej and Pettersson, Joachim and Sch"onning, Karin and Thor'en, Viktor and Wolke, Magnus and others
          Physics Letters B, 2022, 831, Elsevier BV
        254. Article: Measurement of the e+ e-→ $Sigma$0$Sigma$= 0 cross sections at center-of-mass energies from 2.3864 to 3.0200 GeV
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        255. Article: Characteristics of the wake of an inclined prolate spheroid in uniform shear flow
          Wang, Zhe and Yang, Jianzhi and Andersson, Helge I and Zhu, Xiaowei and Wu, Yuxin and Wang, Liping and Liu, Minghou
          Physics of Fluids, 2022, 34, 053604, 5, AIP Publishing LLC
        256. Article: Effects of trailing-edge serration shape on airfoil noise reduction with zero incidence angle
          Hu, Ya-Sen and Zhang, Peng-Jun-Yi and Wan, Zhen-Hua and Liu, Nan-Sheng and Sun, De-Jun and Lu, Xi-Yun
          Physics of Fluids, 2022, 34, 105108, 10, AIP Publishing LLC
        257. Article: Influence of vibrating wall on microswimmer migration in a channel
          Ma, Tengyang and Qin, Fenghua and Cheng, Wan and Luo, Xisheng
          Physics of Fluids, 2022, 34, 051905, 5, AIP Publishing LLC
        258. Article: Rice co-expression network analysis identifies gene modules associated with agronomic traits
          Zhang, Yu and Han, Ershang and Peng, Yuming and Wang, Yuzhou and Wang, Yifan and Geng, Zhenxing and Xu, Yupu and Geng, Haiying and Qian, Yangwen and Ma, Shisong
          Plant Physiology, 2022, 190, 1526--1542, 2, Oxford Academic
        259. Article: Flame acceleration and DDT in a channel with fence-type obstacles: Effect of obstacle shape and arrangement
          Liu, Zhaorong and Li, Xiaoxi and Li, Min and Xiao, Huahua
          Proceedings of the Combustion Institute, 2022, Elsevier
        260. Article: Theoretical investigation on the reaction kinetics of NO2 with CH3OH and HCHO under combustion conditions
          Wu, Xiaoqing and Wu, Mengqi and Hou, Qifeng and Zhang, Feng
          Proceedings of the Combustion Institute, 2022, Elsevier
        261. Article: Facet Engineering in Constructing Lewis Acid-Base Pairs for CO2 Cycloaddition to High Value-Added Carbonates
          Shang, Shu and Shao, Wei and Luo, Xiao and Zuo, Ming and Wang, Hui and Zhang, Xiaodong and Xie, Yi
          Research, 2022, 2022, AAAS
        262. Article: Planar defect--free pure red perovskite light-emitting diodes via metastable phase crystallization
          Song, Yong-Hui and Ge, Jing and Mao, Li-Bo and Wang, Kun-Hua and Tai, Xiao-Lin and Zhang, Qian and Tang, Le and Hao, Jing-Ming and Yao, Ji-Song and Wang, Jing-Jing and others
          Science Advances, 2022, 8, eabq2321, 45, American Association for the Advancement of Science
        263. Article: Actinide-uranium single-atom catalysis for electrochemical nitrogen fixation
          Chen, Tao and Liu, Tong and Pang, Beibei and Ding, Tao and Zhang, Wei and Shen, Xinyi and Wu, Dan and Wang, Lan and Liu, Xiaokang and Luo, Qiquan and others
          Science Bulletin, 2022, 67, 2001--2012, 19, Elsevier
        264. Article: Quantum computational advantage via 60-qubit 24-cycle random circuit sampling
          Zhu, Qingling and Cao, Sirui and Chen, Fusheng and Chen, Ming-Cheng and Chen, Xiawei and Chung, Tung-Hsun and Deng, Hui and Du, Yajie and Fan, Daojin and Gong, Ming and others
          Science bulletin, 2022, 67, 240--245, 3, Elsevier
        265. Article: Tailoring the structural stability, electrochemical performance and CO2 tolerance of aluminum doped SrFeO3
          Huan, Daoming and Zhang, Lu and Zhu, Kang and Li, Xinyu and Zhang, Binze and Shi, Jialin and Peng, Ranran and Xia, Changrong
          Separation and Purification Technology, 2022, 290, 120843, Elsevier
        266. Article: Constructing Reactive Micro-Environment in Basal Plane of MoS2 for pH-Universal Hydrogen Evolution Catalysis
          Koudakan, Payam Ahmadian and Wei, Cong and Mosallanezhad, Amirabbas and Liu, Bo and Fang, Yanyan and Hao, Xiaobin and Qian, Yitai and Wang, Gongming
          Small, 2022, 2107974, Wiley Online Library
        267. Article: Metallic Carbonitride MXene Based Photonic Hyperthermia for Tumor Therapy
          Zhu, Yanhua and Tang, Xinfeng and Liu, Qian and Xia, Yujian and Zhai, Xingwu and Zhang, Hui and Duan, Delong and Wang, Hang and Zhan, Wenqi and Wu, Liang and others
          Small, 2022, 2200646, Wiley Online Library
        268. Article: Phase-Selective Synthesis of Ruthenium Phosphide in Hybrid Structure Enables Efficient Hybrid Water Electrolysis Under pH-Universal Conditions
          Qian, Qizhu and Wang, Wentao and Wang, Gongrui and He, Xiaoyue and Feng, Yafei and Li, Ziyun and Zhu, Yin and Zhang, Yangyang and Zhang, Genqiang
          Small, 2022, 18, 2200242, 20, Wiley Online Library
        269. Article: Reversing the Nucleophilicity of Active Sites in CoP2 Enables Exceptional Hydrogen Evolution Catalysis
          Niu, Shuwen and Fang, Yanyan and Rao, Dewei and Liang, Guangjie and Li, Senyang and Cai, Jinyan and Liu, Bo and Li, Jianming and Wang, Gongming
          Small, 2022, 18, 2106870, 14, Wiley Online Library
        270. Article: Tailoring Nitrogen Species in Disk-Like Carbon Anode Towards Superior Potassium Ion Storage
          Wang, Gongrui and Wang, Wentao and He, Xiaoyue and Li, Jie and Yu, Lai and Peng, Bo and Liu, Rong and Zeng, Suyuan and Zhang, Genqiang
          Small, 2022, 18, 2203288, 30, Wiley Online Library
        271. Article: Amorphous/Crystalline Heterophase Ruthenium Nanosheets for pH-Universal Hydrogen Evolution
          Xu, Jie and Kong, Xiangkai
          Small Methods, 2022, 6, 2101432, 3, Wiley Online Library
        272. Article: Strong Cr--O Hybridization Prevents Active Cu (II) from Cathodic Reconstruction for Alkaline Hydrogen Evolution Catalysis
          Fang, Yanyan and Wei, Cong and Niu, Shuwen and Liu, Bo and Yin, Xuanwei and Bian, Zenan and Tang, Chongyang and Wang, Gongming
          Small Structures, 2022, 2200133, Wiley Online Library
        273. Article: A Comparative Study of Ionospheric Response to Solar Flares at Earth, Venus, and Mars
          Yan, Maodong and Dang, Tong and Cao, Yu-Tian and Cui, Jun and Zhang, Binzheng and Liu, Zerui and Lei, Jiuhou
          The Astrophysical Journal, 2022, 939, 23, 1, IOP Publishing
        274. Article: Hydroxyl groups bridge the electron transfer from Fe (II) to carbon tetrachloride
          Jia, Qian-Qian and Deng, Jia and Zhang, Xuejie and Dai, Yitao and Wu, Feng and Huang, Li-Zhi
          Water Research, 2022, 221, 118791, Elsevier
        275. Article: Mineralization of tribromophenol under anoxic/oxic conditions in the presence of copper (II) doped green rust: Importance of sequential reduction-oxidation process
          Zhang, Xuejie and Deng, Jia and Jia, Qianqian and Ji, Bingbing and Dai, Yitao and Huang, Li-Zhi
          Water Research, 2022, 222, 118959, Elsevier
        276. Article: Schottky and Ohmic Contacts at $alpha$-Tellurene/2D Metal Interfaces
          Wang, Youxi and Yuan, Hao and Li, Zhenyu and Yang, Jinlong
          ACS Applied Electronic Materials, 2022, 4, 1082--1088, 3, ACS Publications
        277. Article: Two-Dimensional Multifunctional Metal--Organic Framework with Intrinsic Bipolar Magnetic Semiconductivity and Negative Poisson’s Ratio
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          ACS Applied Electronic Materials, 2022, ACS Publications
        278. Article: Density Functional Theory Study on the Enhancement Mechanism of the Photocatalytic Properties of the g-C3N4/BiOBr (001) Heterostructure
          Yao, Wenzhi and Li, Dongying and Wei, Shuai and Liu, Xiaoqing and Liu, Xuefei and Wang, Wentao
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        279. Article: A unified theory for gas dynamics and aeroacoustics in viscous compressible flows. Part II. Sources on solid boundary
          Mao, Feng and Liu, Luoqin and Kang, Linlin and Wu, Jiezhi and Zhang, Pengjunyi and Wan, Zhenhua
          Acta Mechanica Sinica, 2022, 38, 1--9, 12, Springer
        280. Article: RuP Nanoparticles Supported on N, O Codoped Porous Hollow Carbon for Efficient Hydrogen Oxidation Reaction
          Wang, Pengcheng and Wang, Changlai and Yang, Yang and Chen, Shi and Cheng, Zhiyu and Huang, Minxue and Tong, Huigang and Chen, Qianwang
          Advanced Materials Interfaces, 2022, 9, 2102193, 9, Wiley Online Library
        281. Article: A first-principles study of water in wadsleyite and ringwoodite: Implication for the 520 km discontinuity
          Wang, Wenzhong and Wu, Zhongqing
          American Mineralogist, 2022, 107, 1361--1368, 7, De Gruyter
        282. Article: Amorphous nickel cobalt oxides as highly efficient catalytic cathodes for rechargeable Li--O2 batteries
          Lei, Xin and Li, Ruilong and Niu, Shuwen and Liu, Bo and Ahmadian Koudakan, Payam and Zhu, Zixuan and Fang, Yanyan and Zhou, Ya and Hong, Xun and Qian, Yitai and others
          Applied Physics Letters, 2022, 121, 183902, 18, AIP Publishing LLC
        283. Article: Construction of spirocyclic oxindole derivatives by copper-catalyzed enantioselective Michael/hemiketalization in aqueous media
          Li, Ning and Lu, Wenjing and Gu, Weizhi and Li, Kuiliang and Li, Jindong and Lu, Yangmian and Zha, Zhenggen and Wang, Zhiyong
          Chemical Communications, 2022, 58, 10957--10960, 78, Royal Society of Chemistry
        284. Article: Flame acceleration and transition to detonation in non-uniform hydrogen-air mixtures in an obstructed channel with different obstacle arrangements
          Fan, Jumeng and Xiao, Huahua
          Fire Safety Journal, 2022, 133, 103660, Elsevier
        285. Article: MD simulation of the He bubble effect on H retention in BCC iron
          Chen, Ze and Yang, Li and Hu, Xunxiang and Wirth, Brian D and Ye, Minyou
          Fusion Engineering and Design, 2022, 180, 113184, Elsevier
        286. Article: Effects of obstacle layout and blockage ratio on flame acceleration and DDT in hydrogen-air mixture in a channel with an array of obstacles
          Li, Min and Liu, Dandan and Shen, Ting and Sun, Jinhua and Xiao, Huahua
          International Journal of Hydrogen Energy, 2022, 47, 5650--5662, 8, Pergamon
        287. Article: Flame acceleration and deflagration-to-detonation transition in narrow channels filled with stoichiometric hydrogen-air mixture
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          International Journal of Hydrogen Energy, 2022, 47, 11052--11067, 20, Elsevier
        288. Article: Propagation of premixed hydrogen-air flame initiated by a planar ignition in a closed tube
          Shen, Ting and Li, Min and Xiao, Huahua
          International Journal of Hydrogen Energy, 2022, 47, 4903--4915, 7, Pergamon
        289. Article: Evaluation of dielectric function models for calculation of electron inelastic mean free path
          Da, B and Liu, X and Yang, LH and Gong, JM and Ding, ZJ and Shinotsuka, H and Liu, JW and Yoshikawa, H and Tanuma, S
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        290. Article: MHD Analysis on the Physics Design of CFETR Baseline Scenarios
          Zhu, Ping and Li, Li and Fang, Yu and He, Yuling and Wang, Shuo and Han, Rui and Liu, Yue and Wang, Xiaojing and Zhang, Yang and Zhang, Xiaodong and others
          Journal of Fusion Energy, 2022, 41, 1--21, 1, Springer
        291. Article: A simulation study on the variation of thermospheric O/N2 with solar activity
          Li, Zhongli and Luan, Xiaoli and Lei, Jiuhou and Ren, Dexin
          Journal of Geophysical Research: Space Physics, 2022, 127, e2022JA030305, 6, Wiley Online Library
        292. Article: Experimental and first-principles studies on photoluminescence of Ce3+-doped calcium chloroborate Ca2BO3Cl
          Berezovskaya, Irina V and Zhou, Shihang and Lou, Bibo and Yin, Min and Ma, Chong-Geng and Voloshinovskii, Anatoliy S and Dotsenko, Vladimir P
          Journal of Luminescence, 2022, 244, 118730, Elsevier
        293. Article: Factors influencing the structure of the complex-defects in AF2: RE3+ (A= Ca, Sr and Ba): A first-principles study
          Cai, Jiajia and Ma, Chong-Geng and Yin, Min
          Journal of Luminescence, 2022, 250, 119058, Elsevier
        294. Article: First-principles study of the Li (Y/Lu) SiO4: Ce3+, Sm3+ storage phosphor
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          Journal of Luminescence, 2022, 241, 118479, Elsevier
        295. Article: First-principles study on site occupancies and excitation spectra of Na3LuSi2O7: Ce3+
          Lou, Bibo and Wen, Jun and Duan, Chang-Kui and Yin, Min
          Journal of Luminescence, 2022, 242, 118232, Elsevier
        296. Article: The predictability of the ground state of 3dn transition metal ion as luminescent centers in the tetrahedral sites in inorganic compounds
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          Journal of Luminescence, 2022, 247, 118919, Elsevier
        297. Article: High-fidelity robust and efficient finite difference algorithm for simulation of polymer-induced turbulence in cylindrical coordinates
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        298. Article: Ultrathin bismuth oxychloride nanosheet for enhanced potassium storage
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        299. Article: Spall and recompression processes with double shock loading of polycrystalline copper
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          Mechanics of Materials, 2022, 165, 104194, Elsevier
        300. Article: Synthesis of strong electron donating-accepting type organic fluorophore and its polypeptide nanoparticles for NIR-II phototheranostics
          Teng, Changchang and Zhang, Shangzhong and Tian, Youliang and Cheng, Quan and Dang, Huiping and Yin, Dalong and Yan, Lifeng
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        301. Article: Transition Metal Dichalcogenides Magnetic Atomic Chains
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          Nanoscale advances, 2022, Royal Society of Chemistry
        302. Article: Hybrid density functional study on band structure engineering of ZnS (110) surface by anion--cation codoping for overall water splitting
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          New Journal of Chemistry, 2022, 46, 8079--8087, 17, Royal Society of Chemistry
        303. Article: Tuning the spin caloritronic transport properties of InSe monolayers via transition metal doping
          Huang, Jing and Zhu, Ying and Xie, Rong and Hu, Yujie and Li, Shujuan and Lei, Shulai and Li, Qunxiang
          New Journal of Chemistry, 2022, 46, 15373--15380, 32, Royal Society of Chemistry
        304. Article: Hybrid simulations of beta-induced Alfv'en eigenmode with reversed safety factor profile
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          Nuclear Fusion, 2022, 62, 056002, 5, IOP Publishing
        305. Article: Site occupancy and luminescence of Ce3+-doped NaK2Li [Li3SiO4] 4: A first-principles study
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          Optical Materials, 2022, 123, 111935, Elsevier
        306. Article: Mechanistic Study on Palladium-Catalyzed Cycloaddition of Vinylethylene Carbonates with $alpha$, $eta$-Unsaturated Imines
          Xu, Zhe-Yuan and Liu, De-Guang and Yao, Cheng-Yu and Yu, Hai-Zhu and Fu, Yao
          Organometallics, 2022, 41, 2844--2853, 20, ACS Publications
        307. Article: Classical-to-quantum transition in multimode nonlinear systems with strong photon-photon coupling
          Huang, Yue-Xun and Li, Ming and Lin, Ke and Zhang, Yan-Lei and Guo, Guang-Can and Zou, Chang-Ling
          Physical Review A, 2022, 105, 043707, 4, APS
        308. Article: Distorted-wave description of electron momentum spectroscopy for molecules: A demonstration for molecular oxygen
          Gong, Maomao and Zhang, Yuting and Li, Xingyu and Zhang, Song Bin and Shan, Xu and Chen, Xiangjun
          Physical Review A, 2022, 105, 042805, 4, APS
        309. Article: Defect levels of 3 d n transition-metal series in wide-gap oxide and fluoride insulators: A first-principles study
          Jing, Weiguo and Liu, Mingzhe and Wei, Xiantao and Ma, Chong-Geng and Yin, Min and Duan, Chang-Kui
          Physical Review B, 2022, 106, 075110, 7, APS
        310. Article: Electronic properties of zero-line modes in bilayer graphene: An ab initio study
          Yan, Zhi and Hou, Tao and Han, Yulei and Xu, Xiaohong and Qiao, Zhenhua
          Physical Review B, 2022, 105, 035425, 3, APS
        311. Article: Physical origin of current partition at a topological trifurcation
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          Physical Review B, 2022, 106, L161413, 16, American Physical Society
        312. Article: Projected entangled pair states study of anisotropic-exchange magnets on the triangular lattice
          Zhang, Meng and Wang, Chao and Dong, Shaojun and Zhang, Hao and Han, Yongjian and He, Lixin
          Physical Review B, 2022, 105, 024411, 2, American Physical Society
        313. Article: Simulation of ring-exchange models with projected entangled pair states
          Wang, Chao and Dong, Shaojun and Han, Yongjian and He, Lixin
          Physical Review B, 2022, 105, 024417, 2, American Physical Society
        314. Article: Spin-orbit coupling induced demagnetization in Ni: Ab initio nonadiabatic molecular dynamics perspective
          Zheng, Zhenfa and Zheng, Qijing and Zhao, Jin
          Physical Review B, 2022, 105, 085142, 8, APS
        315. Article: Symmetry-protected Dirac nodal lines and large spin Hall effect in a V 6 Sb 4 kagome bilayer
          Yang, Y and Wang, R and Shi, M-Z and Wang, Z and Xiang, Z and Chen, X-H
          Physical Review B, 2022, 105, 155102, 15, APS
        316. Article: Topological corner states in graphene by bulk and edge engineering
          Zeng, Junjie and Chen, Chen and Ren, Yafei and Liu, Zheng and Ren, Wei and Qiao, Zhenhua
          Physical Review B, 2022, 106, L201407, 20, APS
        317. Article: Understanding photoluminescence of Cs 2 ZrCl 6 doped with post-transition-metal ions using first-principles calculations
          Liu, Mingzhe and Duan, Chang-Kui and Tanner, Peter A and Ma, Chong-Geng and Wei, Xiantao and Yin, Min
          Physical Review B, 2022, 105, 195137, 19, APS
        318. Article: Wake bifurcations behind two circular disks in tandem arrangement
          Yang, Jianzhi and Zhu, Xiaowei and Liu, Minghou and Wang, Changjian and Wu, Yuxin and Shen, Zhihe
          Physical Review Fluids, 2022, 7, 064102, 6, APS
        319. Article: First-principles study of transition metal dopants as spin qubits
          Shang, Longbing and Chen, Qiaoling and Jing, Weiguo and Ma, Chong-Geng and Duan, Chang-Kui and Du, Jiangfeng
          Physical Review Materials, 2022, 6, 086201, 8, APS
        320. Article: Physical mechanisms for the transition from type-III to large ELMs induced by impurity injection on EAST
          Lin, X and Xu, GS and Yang, QQ and Yan, N and Wang, YF and Ye, Y and Zhu, P and Cao, B and Li, KD and Chen, R and others
          Physics Letters A, 2022, 431, 127988, Elsevier
        321. Article: The effect of water on the outer core transport properties
          Li, Yunguo and Guo, Xuan and Vovcadlo, Lidunka and Brodholt, John P and Ni, Huaiwei
          Physics of the Earth and Planetary Interiors, 2022, 329, 106907, Elsevier
        322. Article: Influence of energy loss function to the Monte Carlo simulated electron backscattering coefficient
          Chen, Haotian and Zou, Yanbo and Mao, Shifeng and Khan, MSS and THok'esi, K'aroly and Ding, ZJ
          Scientific Reports, 2022, 12, 1--11, 1, Nature Publishing Group
        323. Article: Revealing the characteristic length of random close packing via critical-like random pinning
          Zhang, Jianhua and Zheng, Wen and Tong, Hua and Xu, Ning
          Soft Matter, 2022, 18, 1836--1842, 9, Royal Society of Chemistry
        324. Article: Unveiling the space weather during the Starlink satellites destruction event on 4 February 2022
          Dang, Tong and Li, Xiaolei and Luo, Bingxian and Li, Ruoxi and Zhang, Binzheng and Pham, Kevin and Ren, Dexin and Chen, Xuetao and Lei, Jiuhou and Wang, Yuming
          Space Weather, 2022, 20, e2022SW003152, 8, Wiley Online Library
        325. Article: A Pragmatic Protocol for Determining Charge Transfer States of Molecules at Metal Surfaces by Constrained Density Functional Theory
          Meng, Gang and Jiang, Bin
          The Journal of Chemical Physics, 2022, AIP Publishing LLC
        326. Article: A unified framework of transformations based on the Jordan--Wigner transformation
          Li, Qing-Song and Liu, Huan-Yu and Wang, Qingchun and Wu, Yu-Chun and Guo, Guo-Ping
          The Journal of Chemical Physics, 2022, 157, 134104, 13, AIP Publishing LLC
        327. Article: DFT+ U within the framework of linear combination of numerical atomic orbitals
          Qu, Xin and Xu, Peng and Jiang, Hong and He, Lixin and Ren, Xinguo
          The Journal of Chemical Physics, 2022, AIP Publishing LLC
        328. Article: REANN: A PyTorch-based end-to-end multi-functional deep neural network package for molecular, reactive, and periodic systems
          Zhang, Yaolong and Xia, Junfan and Jiang, Bin
          The Journal of Chemical Physics, 2022, 156, 114801, 11, AIP Publishing LLC
        329. Article: Structural and electrocatalytic properties of copper clusters: A study via deep learning and first principles
          Wang, Xiaoning and Wang, Haidi and Luo, Qiquan and Yang, Jinlong
          The Journal of Chemical Physics, 2022, 157, 074304, 7, AIP Publishing LLC
        330. Article: Palladium-Catalyzed C--H Activation/Cyclization for the Synthesis of [60] Fullerene-Fused Phosphinolactones
          Liu, Qing-Song and Qiu, Wen-Jie and Niu, Chuang and Wang, Guan-Wu
          The Journal of Organic Chemistry, 2022, ACS Publications
        331. Article: Confirmation of Phase Transitions and Laser-Assisted Chemical Reaction for Pyridine under High Pressure
          Su, Hao and Li, Xiangdong and Ye, Chunhui and Gao, Chan and Sun, Xiaoyu and Wang, Zhongping and Dai, Rucheng and Zhang, Zengming
          The Journal of Physical Chemistry C, 2022, 126, 12536--12544, 30, ACS Publications
        332. Article: First-Principles Study of Oxygen-Induced Disintegration and Ripening of Late Transition Metal Nanoparticles on Rutile-TiO2 (110)
          Cao, Shiyan and Chai, Xuting and Hu, Sulei and Li, Wei-Xue
          The Journal of Physical Chemistry C, 2022, ACS Publications
        333. Article: Improving the Nitrogen Reduction Reaction Performance of MoS2 via a Synergetic Effect: A Density Functional Theory Study
          Chen, Lanlan and Zhou, Yanan and Rao, Yifei and Qin, Mingxin and Gong, Bingbing and Zhang, Wenhua and Li, Zhenyu
          The Journal of Physical Chemistry C, 2022, ACS Publications
        334. Article: Insights into Hydration Enthalpies of Mixed Proton--Electron Conductors
          Jin, Zongzi and Shi, Nai and Peng, Ranran and Wang, Zhenbin and Wang, Chengwei and Lu, Yalin and Liu, Wei
          The Journal of Physical Chemistry C, 2022, 126, 13025--13031, 31, ACS Publications
        335. Article: Ni-Based Janus Pentagonal Monolayers as Promising Water-Splitting Photocatalysts
          Wang, Youxi and Ma, Xinbo and Yuan, Hao and Li, Zhenyu
          The Journal of Physical Chemistry C, 2022, ACS Publications
        336. Article: Vibrational Relaxation of Highly Vibrationally Excited Molecules Scattered from Au (111): Role of the Dissociation Barrier
          Meng, Gang and Hu, Ce and Jiang, Bin
          The Journal of Physical Chemistry C, 2022, 126, 12003--12008, 29, ACS Publications
        337. Article: C7N6/Sc2CCl2 Weak van der Waals Heterostructure: A Promising Visible-Light-Driven Z-Scheme Water Splitting Photocatalyst with Interface Ultrafast Carrier Recombination
          Meng, Jie and Wang, Jiajun and Wang, Jianing and Li, Qunxiang and Yang, Jinlong
          The Journal of Physical Chemistry Letters, 2022, 13, 1473--1479, 6, ACS Publications
        338. Article: Cooperation and Competition Coexist in Bidirectional Transport by Motor Proteins
          Xie, Kewei and Wang, Qian
          The Journal of Physical Chemistry Letters, 2022, 13, 7336--7341, 31, ACS Publications
        339. Article: Determining the Energy Gap between the S1 and T1 States of Thermally Activated Delayed Fluorescence Molecular Systems Using Transient Fluorescence Spectroscopy
          Zheng, Min and Li, Yuanming and Wei, Yaxiong and Chen, Lin and Zhou, Xiaoguo and Liu, Shilin
          The Journal of Physical Chemistry Letters, 2022, 13, 2507--2515, 11, ACS Publications
        340. Article: Does Cr3+ Occupy Tetrahedral Sites and Luminesce in Oxides? A First-Principles Exploration
          Shang, Longbing and Liu, Mingzhe and Duan, Chang-Kui
          The Journal of Physical Chemistry Letters, 2022, 13, 10635--10641, ACS Publications
        341. Article: Effect of the Charge State on the Catalytic Activity of a Fullerene-Based Molecular Electrocatalyst: A Theoretical Study
          Xiao, Hengyu and Li, Huirong and Li, Xiyu and Jiang, Jun
          The Journal of Physical Chemistry Letters, 2022, 13, 7392--7397, 32, ACS Publications
        342. Article: Electron-Induced Synthesis of Dimethyl Ether in the Liquid--Vapor Interface of Methanol
          Li, Ziyuan and Fu, Cen-Feng and Chen, Ziwei and Tong, Tiantian and Hu, Jie and Yang, Jinlong and Tian, Shan Xi
          The Journal of Physical Chemistry Letters, 2022, 13, 5220--5225, ACS Publications
        343. Article: High Photoreactivity on a Reconstructed Anatase TiO2 (001) Surface Predicted by Ab Initio Nonadiabatic Molecular Dynamics
          Tu, Youyou and Chu, Weibin and Shi, Yongliang and Zhu, Wenguang and Zheng, Qijing and Zhao, Jin
          The Journal of Physical Chemistry Letters, 2022, 13, 5766--5775, 25, ACS Publications
        344. Article: Identifying Photocatalytic Active Sites of C2H6 C--H Bond Activation on TiO2 via Combining First-Principles Ground-State and Excited-State Electronic Structure Calculations
          Wang, Xiaoning and Wan, Lingyun and Wang, Zijian and Liu, Xiaofeng and Gao, Yunzhi and Wang, Lei and Liu, Jie and Guo, Qing and Hu, Wei and Yang, Jinlong
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        345. Article: Intrinsic Second-Order Topological Insulator in Two-Dimensional Covalent Organic Frameworks
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          The Journal of Physical Chemistry Letters, 2022, 13, 10905--10911, ACS Publications
        346. Article: Manifesting Direction-Specific Complexation in [HFIP--H extperiodcentered H2O2]-: Exclusive Formation of a High-Lying Conformation
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        347. Article: Molecular Design of Two-Dimensional Covalent Heptazine Frameworks for Photocatalytic Overall Water Splitting under Visible Light
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        348. Article: Ordering Degree-Dependent Activity of Pt3M (M= Fe, Mn) Intermetallic Nanoparticles for Electrocatalytic Methanol Oxidation
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        349. Article: Origin of Asymmetric Splitting of Kondo Peak in Spin-Polarized Scanning Tunneling Spectroscopy: Insights from First-Principles-Based Simulations
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        350. Article: Overall Surfacial Antenna Immobilization Boosts Carrier Migration for Visible Light Superoxide Generation
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        352. Article: Real-time, time-dependent density functional theory study on photoinduced isomerizations of azobenzene under a light field
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        353. Article: Sulfur-Coordinated Transition Metal Atom in Graphene for Electrocatalytic Nitrogen Reduction with an Electronic Descriptor
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        355. Article: Two-Dimensional Quaternary Transition Metal Sulfide CrMoA2S6 (A= C, Si, or Ge): A Bipolar Antiferromagnetic Semiconductor with a High Ne?el Temperature
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        356. Article: Utilizing High Coordination Diversity in Carbon Nanocone Supported Catalytic Single-Atom Sites for Screening of Optimal Activity
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        357. Article: Multiscale mechanics of noncovalent interface in graphene oxide layered nanocomposites
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        358. Article: Investigation of nonlocal data-driven methods for subgrid-scale stress modeling in large eddy simulation
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        359. Article: Conversion of Methane to Methanol on Cobalt-Embedded Graphene: A Theoretical Perspective
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        360. Article: Precise Construction of High Metallicity and High Stability TM1/Cu2O (111) Single-Atom Catalysts by First-Principles
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        362. Article: Theoretical insights into the diverse and tunable charge transport behavior of stilbene-based single-molecule junctions
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        364. Article: In-Plane Magnetization-Induced Corner States in Bismuthene
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        366. Article: Influence of the drifts on the double-peaked emission profile of the visible light in the upper divertor region of EAST
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        368. Article: Single-Cell Heterogeneity of the Liver-Infiltrating Lymphocytes in Individuals with Chronic Echinococcus multilocularis Infection
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        374. Article: Improving Density Functional Prediction of Molecular Thermochemical Properties with a Machine-Learning-Corrected Generalized Gradient Approximation
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        376. Article: Reproducibility of Hybrid Density Functional Calculations for Equation-of-State Properties and Band Gaps
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        379. Article: CO2 reduction on metal-doped SnO2 (110) surface catalysts: Manipulating the product by changing the ratio of Sn: O
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          Chinese Journal of Chemical Physics, 2022, Chinese Journal of Chemical Physics
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          Chinese Journal of Chemical Physics, 2022, 35, 664--672, 4, Chinese Physical Society
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        385. Article: High thermoelectric figure of merit in rhombic porous carbon nitride nanoribbons
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        386. Article: Interlayer electron coupling pathway driven electrochemiluminescence in hydrogen-bonded organic frameworks
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        388. InProceedings: Overview on Job Running Times Prediction Algorithms for HPC Platform
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        393. Article: Solar Position Algorithm Based on the Kepler Equation
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        395. Article: Realization of Kane-Mele Model in $$ackslash$pmb X$ackslash$bf $$N\_4$$ $-Embedded Graphene ($$ackslash$pmb X $= Pt, Ir, Rh, Os)
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        397. Article: Adiabatic conversion between gigahertz quasi-Rayleigh and quasi-Love modes for phononic integrated circuits
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        404. Article: Massive particle acceleration on a photonic chip via spatial-temporal modulation
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        405. Article: Direct Determination of Spin-Splitting Energy in Magnetic Graphene by Landau Fan Shifts
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        416. Article: Real-Time Excited Carrier Dynamics in Momentum Space from ab initio Nonadiabatic Molecular Dynamics
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        417. Article: Plasma zone plate for high-power lasers driven by a Laguerre-Gaussian beam
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        418. Article: Efficiently Extracting Multi-Point Correlations of a Floquet Thermalized System
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        419. Article: Interplay between the magnetic structures and the surface states in MnBi $ \_ $$2$$ $ Te $ \_ $$4$$ $ from first-principles studies
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        420. Article: Electron pulse train accelerated by a linearly polarized Laguerre-Gaussian laser beam
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        421. Article: Hamiltonian Transformation for Band Structure Calculations
          Wu, Kai and Li, Yingzhou and Wu, Wentiao and Lin, Lin and Hu, Wei and Yang, Jinlong
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        422. Article: Regulating electron diffraction direction with cylindrically symmetric rotating crystal
          Cheng, L and Da, B and Liu, X and Shigeto, K and Tsukagoshi, K and Nabatame, T and Liu, JW and Zhang, H and Yoshikawa, H and Tanuma, S and others
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        423. Article: Magnet-Free Time-Resolved Magnetic Circular Dichroism with Pulsed Vector Beams
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        424. Article: Measurements of Differential Cross Sections of Inclusive $$ackslash$pi^ 0$ and $ K^ 0\_S $ Production in $ e^$$+$$ e^$$-$$ $ Annihilation at Energies from 2.2324 to 3.6710 GeV
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        425. Article: Valley-polarized quantum anomalous Hall effect in van der Waals heterostructures based on monolayer jacutingaite family materials
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        426. Article: Molecular modeling on gulong shale oil and wettability of reservoir matrix
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          CCF Transactions on High Performance Computing, 2022, 1--17, Springer
        428. Article: Modulating hydrogen bonding in single-atom catalysts to break scaling relation for oxygen evolution
          Ma, Peiyu and Feng, Chen and Kong, Yuan and Wang, Dongdi and Zuo, Ming and Wang, Sicong and Wang, Ruyang and Kuang, Lingling and Ding, Xilan and Zhou, Shiming and others
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        429. Article: A transcriptome atlas and interactive analysis platform for autoimmune disease
          Shen, Zhuoqiao and Fang, Minghao and Sun, Wujianan and Tang, Meifang and Liu, Nianping and Zhu, Lin and Liu, Qian and Li, Bin and Sun, Ruoming and Shi, Yu and others
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        430. Article: Magic hybrid structure as multifunctional electrocatalyst surpassing benchmark Pt/C enables practical hydrazine fuel cell integrated with energy-saving H2 production
          Li, Ziyun and Wang, Wentao and Qian, Qizhu and Zhu, Yin and Feng, Yafei and Zhang, Yangyang and Zhang, Huaikun and Cheng, Mingyu and Zhang, Genqiang
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        431. Article: Tailoring the adsorption behavior of superoxide intermediates on nickel carbide enables high-rate Li--O2 batteries
          Liu, Yun and Cai, Jinyan and Zhou, Jianbin and Zang, Yipeng and Zheng, Xusheng and Zhu, Zixuan and Liu, Bo and Wang, Gongming and Qian, Yitai
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        432. Article: Toward dendrite-free and anti-corrosion Zn anodes by regulating a bismuth-based energizer
          Wang, Mingming and Meng, Yahan and Li, Ke and Ahmad, Touqeer and Chen, Na and Xu, Yan and Sun, Jifei and Chuai, Mingyan and Zheng, Xinhua and Yuan, Yuan and others
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        433. Article: Simulation of Fire Extinguishing Agent Transport and Dispersion in Aircraft Engine Nacelle
          Liu, Rulin and Shi, Hui and Zhou, Qiyong and Ma, Weitong and Wang, Tengfei and Lu, Song
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        434. Article: Simulation Study on Aircraft Fire Extinguishing Pipeline with Different Filling Conditions and Pipeline Characteristics
          Liu, Rulin and Yuan, Changyu and Ma, Weitong and Liu, Shaonan and Lu, Song and Zhang, Heping and Gong, Jun
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        435. Article: Elastic properties of Fe-bearing Akimotoite at mantle conditions: Implications for composition and temperature in lower mantle transition zone
          Zhao, Yajie and Wu, Zhongqing and Hao, Shangqin and Wang, Wenzhong and Deng, Xin and Song, Jian
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        436. Article: Designing Robust Two-Electron Storage Extended Bipyridinium Anolytes for pH-Neutral Aqueous Organic Redox Flow Batteries
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        437. Article: Reversing the Catalytic Selectivity of Single-Atom Ru via Support Amorphization
          Du, Junyi and Huang, Yan and Huang, Zixiang and Wu, Geng and Wu, Bei and Han, Xiao and Chen, Cai and Zheng, Xusheng and Cui, Peixin and Wu, Yuen and others
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        438. Article: Understanding High-Temperature Chemical Reactions on Metal Surfaces: A Case Study on Equilibrium Concentration and Diffusivity of C x H y on a Cu (111) Surface
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        439. Article: ScanTecc classifies primary cancers via cell-free extrachromosomal circular DNA in peripheral blood
          Fang, Jingwen and Xu, Yehong and Wang, Jing and Shan, Benjie and Ding, Kaiyang and Li, Shouzhen and Yu, Qiaoni and Zhang, Wen and Yang, Jiaxuan and Liu, Ke and others
          medRxiv, 2022, Cold Spring Harbor Laboratory Press
        440. Article: Electrochemical CO 2 reduction to C 2+ products using Cu-based electrocatalysts: A review
          Ahmad, Touqeer and Liu, Shuang and Sajid, Muhammad and Li, Ke and Ali, Mohsin and Liu, Liang and Chen, Wei
          Nano Research Energy, 2022, 1, e9120021, 2, 清華大學出版社
        441. Article: Enantioselective synthesis of P-stereogenic allenylphosphines through Ni-catalysed propargylic substitution
          Wang, Wei-Han and Wu, Yue and Wang, Hai-Tao and Qi, Peng-Jia and Lan, Wen-Ning and Zhang, Qing-Wei
          Nature Synthesis, 2022, 1, 738--747, 9, Nature Publishing Group
        442. Article: The experimental and theoretical research on the near infrared luminescent property of KAL11O17: Fe3+ and RbAl11O17: Fe3+
          Ni, Jindong and Chen, Yang and Qu, Bingyan and Wang, Lei
          Optical Materials: X, 2022, 100212, Elsevier
        443. Article: Search for a CP-odd light Higgs boson in J/psi-> gamma A (0)
          Ikegami Andersson, Walter and Johansson, Tord and Kupsc, Andrzej and Pettersson, J and Sch"onning, Karin and Thor'en, Viktor and Wolke, Magnus and others
          Physical Review D: covering particles, fields, gravitation, and cosmology, 2022, 105, 1, AMER PHYSICAL SOC
        444. Article: Nonlinear quantum gates for a Bose-Einstein condensate
          Xu, Shu and Schmiedmayer, J"org and Sanders, Barry C
          Physical Review Research, 2022, 4, 023071, 2, APS
        445. Article: Frequency multiplication with toroidal mode number of kink/fishbone modes on a static HL-2A-like tokamak
          Zou, Zhihui and Zhu, Ping and Kim, Charlson and Deng, Wei and Wang, Xianqu and Hou, Yawei
          Plasma Science and Technology, 2022, IOP Publishing
        446. Article: Linear hybrid simulations of low-frequency fishbone instability driven by energetic passing particles in tokamak plasmas
          Jixing, YANG and Guoyong, FU and Wei, SHEN and Minyou, YE
          Plasma Science and Technology, 2022, 24, 065101, 6, IOP Publishing
        447. Article: Carbon disulfide: A redox mediator for organodisulfides in redox flow batteries
          Chen, Qiliang and Wang, Wenmin and Li, Xin and Guo, Wei and Fu, Yongzhu
          Proceedings of the National Academy of Sciences, 2022, 119, e2202449119, 22, National Acad Sciences
        448. Article: Chemistry-informed molecular graph as reaction descriptor for machine-learned retrosynthesis planning
          Zhang, Baicheng and Zhang, Xiaolong and Du, Wenjie and Song, Zhaokun and Zhang, Guozhen and Zhang, Guoqing and Wang, Yang and Chen, Xin and Jiang, Jun and Luo, Yi
          Proceedings of the National Academy of Sciences, 2022, 119, e2212711119, 41, National Acad Sciences
        449. Article: Electron delocalization triggers nonradical Fenton-like catalysis over spinel oxides
          Guo, Zhi-Yan and Si, Yang and Xia, Wen-Qi and Wang, Fan and Liu, Hou-Qi and Yang, Cheng and Zhang, Wen-Jun and Li, Wen-Wei
          Proceedings of the National Academy of Sciences, 2022, 119, e2201607119, 31, National Acad Sciences
        450. Article: Immunomagnetic microscopy of tumor tissues using quantum sensors in diamond
          Chen, Sanyou and Li, Wanhe and Zheng, Xiaohu and Yu, Pei and Wang, Pengfei and Sun, Ziting and Xu, Yao and Jiao, Defeng and Ye, Xiangyu and Cai, Mingcheng and others
          Proceedings of the National Academy of Sciences, 2022, 119, e2118876119, 5, National Acad Sciences
        451. Article: CubeNet: Array-based seismic phase picking with deep learning
          Chen, Guoyi and Li, Junlun
          Seismological Society of America, 2022, 93, 2554--2569, 5

        2021年:358篇

        1. article: Atomic Disorder Enables Superior Catalytic Surface of Pt-Based Catalysts for Alkaline Hydrogen Evolution
          Xie, Yufang and Cai, Jinyan and Wu, Yishang and Hao, Xiaobin and Bian, Zenan and Niu, Shuwen and Yin, Xuanwei and Pei, Zhibin and Sun, Da and Zhu, Zixuan and others
          Seismological Society of America, 2021, 3, 1738--1745, ACS Publications
        2. article: Coordinatively and Spatially Coconfining High-Loading Atomic Sb in Sulfur-Rich 2D Carbon Matrix for Fast K+ Diffusion and Storage
          Yi, Zheng and Jiang, Song and Du, Yonghua and Ma, Lu and Qian, Yong and Tian, Jie and Jia, Chuankun and Chen, Shimou and Lin, Ning and Qian, Yitai
          Seismological Society of America, 2021, 3, 790--798, ACS Publications
        3. article: Mechanical properties of atomically thin tungsten dichalcogenides: WS2, WSe2, and WTe2
          Falin, Alexey and Holwill, Matthew and Lv, Haifeng and Gan, Wei and Cheng, Jun and Zhang, Rui and Qian, Dong and Barnett, Matthew R and Santos, Elton JG and Novoselov, Konstantin S and others
          Seismological Society of America, 2021, 15, 2600--2610, 2, ACS Publications
          分區:2
        4. article: Topology Selectivity in On-Surface Dehydrogenative Coupling Reaction: Dendritic Structure versus Porous Graphene Nanoribbon
          Huang, Jianmin and Pan, Yu and Wang, Tao and Cui, Shengsheng and Feng, Lin and Han, Dong and Zhang, Wenzhao and Zeng, Zhiwen and Li, Xingyu and Du, Pingwu and others
          Seismological Society of America, 2021, 15, 4617--4626, 3, ACS Publications
          分區:2
        5. article: Ultrafast Potassium Storage in F-Induced Ultra-High Edge-Defective Carbon Nanosheets
          Jiang, Yu and Yang, Yang and Xu, Rui and Cheng, Xiaolong and Huang, Huijuan and Shi, Pengcheng and Yao, Yu and Yang, Hai and Li, Dongjun and Zhou, Xuefeng and others
          Seismological Society of America, 2021, ACS Publications
          分區:2
        6. article: Non-thermal melting of tungsten under intense electronic excitations
          Ye, XB and He, ZH and Gao, Fei and Pan, BC
          Seismological Society of America, 2021, 216, 117158, Elsevier
        7. article: Ion-Dipole Chemistry Drives Rapid Evolution of Li Ions Solvation Sheath in Low-Temperature Li Batteries
          Wang, Zhenxing and Sun, Zhenhua and Shi, Ying and Qi, Fulai and Gao, Xuning and Yang, Huicong and Cheng, Hui-Ming and Li, Feng
          Seismological Society of America, 2021, 2100935, Wiley Online Library
          分區:2
        8. article: Electrical Conductivity Adjustment for Interface Capacitive-Like Storage in Sodium-Ion Battery
          Li, Qianwen and Wang, Hang and Tang, Xinfeng and Zhou, Min and Zhao, Huaping and Xu, Yang and Xiao, Wei and Lei, Yong
          Seismological Society of America, 2021, 2101081, Wiley Online Library
        9. article: Realizing the Synergy of Interface Engineering and Chemical Substitution for Ni3N Enables its Bifunctionality Toward Hydrazine Oxidation Assisted Energy-Saving Hydrogen Production
          Liu, Yi and Zhang, Jihua and Li, Yapeng and Qian, Qizhu and Li, Ziyun and Zhang, Genqiang
          Seismological Society of America, 2021, 31, 2103673, 35, Wiley Online Library
        10. article: Steering the Assembly and Disassembly of Active Pd Sites in Organometallic Networks for Electrocatalytic Performance and Organic Transformation
          Zhou, Xiao and Li, Hong-Bao and Yang, Zhengkun and Xu, An-Wu
          Seismological Society of America, 2021, 31, 2009557, 14, Wiley Online Library
        11. article: Constructing Graphitic-Nitrogen-Bonded Pentagons in Interlayer-Expanded Graphene Matrix toward Carbon-Based Electrocatalysts for Acidic Oxygen Reduction Reaction
          Liu, Shuai and Zhang, Yongchao and Ge, Binghui and Zheng, Fangcai and Zhang, Nan and Zuo, Ming and Yang, Yang and Chen, Qianwang
          Seismological Society of America, 2021, 33, 2103133, 42, Wiley Online Library
        12. article: Stable Unbiased Photo-Electrochemical Overall Water Splitting Exceeding 3\% Efficiency via Covalent Triazine Framework/Metal Oxide Hybrid Photoelectrodes
          Zhang, Ying and Lv, Haifeng and Zhang, Zhen and Wang, Lei and Wu, Xiaojun and Xu, Hangxun
          Seismological Society of America, 2021, 33, 2008264, 15, Wiley Online Library
        13. article: Tuning the p-Orbital Electron Structure of s-Block Metal Ca Enables a High-Performance Electrocatalyst for Oxygen Reduction
          Lin, Zhiyu and Huang, Hao and Cheng, Ling and Hu, Wei and Xu, Pengping and Yang, Yang and Li, Jianmin and Gao, Feiyue and Yang, Kang and Liu, Shuai and others
          Seismological Society of America, 2021, 2107103, Wiley Online Library
        14. article: Dual-Metal Sites Boosting Polarization of Nitrogen Molecules for Efficient Nitrogen Photofixation
          Zhang, Yida and Hou, Tingting and Xu, Quan and Wang, Qingyu and Bai, Yu and Yang, Shaokang and Rao, Dewei and Wu, Lihui and Pan, Haibin and Chen, Jiafu and others
          Seismological Society of America, 2021, 2100302, Wiley Online Library
        15. article: Pb Single Atoms Enable Unprecedented Catalytic Behavior for the Combustion of Energetic Materials
          Qu, Wengang and Niu, Shiyao and Sun, Da and Gao, Hongxu and Wu, Yishang and Yuan, Zhifeng and Chen, Xueli and Wang, Ying and An, Ting and Wang, Gongming and others
          Seismological Society of America, 2021, 8, 2002889, 5, Wiley Online Library
        16. article: Artificial Heterointerfaces Achieve Delicate Reaction Kinetics towards Hydrogen Evolution and Hydrazine Oxidation Catalysis
          Qian, Qizhu and Zhang, Jihua and Li, Jianming and Li, Yapeng and Jin, Xu and Zhu, Yin and Liu, Yi and Li, Ziyun and El-Harairy, Ahmed and Xiao, Chong and others
          Seismological Society of America, 2021, 133, 6049--6058, 11, Wiley Online Library
        17. article: Lewis-Basic EDTA as a Highly Active Molecular Electrocatalyst for CO2 Reduction to CH4
          Huang, Minxue and Gong, Shipeng and Wang, Changlai and Yang, Yang and Jiang, Peng and Wang, Pengcheng and Hu, Lin and Chen, Qianwang
          Seismological Society of America, 2021, 133, 23184--23191, 42, Wiley Online Library
        18. article: Exciton-Mediated Energy Transfer in Heterojunction Enables Infrared Light Photocatalysis
          Li, Yuanjin and Wang, Hui and Zhang, Xiaodong and Wang, Shuhui and Jin, Sen and Xu, Xiaoliang and Liu, Wenxiu and Zhao, Zhi and Xie, Yi
          Seismological Society of America, 2021, Wiley Online Library
        19. article: Interlayer Engineering of $alpha$-MoO3 Modulates Selective Hydronium Intercalation in Neutral Aqueous Electrolyte
          Zhang, Haozhe and Wu, Weixing and Liu, Qiyu and Yang, Fan and Shi, Xin and Liu, Xiaoqing and Yu, Minghao and Lu, Xihong
          Seismological Society of America, 2021, 60, 896--903, 2, Wiley Online Library
        20. article: Mn- O Covalency Governs the Intrinsic Activity of Co-Mn Spinel Oxides for Boosted Peroxymonosulfate Activation
          Guo, Zhi-Yan and Li, Chen-Xuan and Gao, Miao and Han, Xiao and Zhang, Ying-Jie and Zhang, Wen-Jun and Li, Wen-Wei
          Seismological Society of America, 2021, 60, 274--280, 1, Wiley Online Library
        21. article: Rational Fabrication of Low-Coordinate Single-Atom Ni Electrocatalysts by MOFs for Highly Selective CO2 Reduction
          Zhang, Yan and Jiao, Long and Yang, Weijie and Xie, Chenfan and Jiang, Hai-Long
          Seismological Society of America, 2021, 60, 7607--7611, 14, Wiley Online Library
        22. article: Boosting the oxygen evolution activity over cobalt nitride nanosheets through optimizing the electronic configuration
          Liu, Huanhuan and Lei, Jia and Yang, Shangjie and Qin, Fengfeng and Cui, Lei and Kong, Yuan and Zheng, Xiao and Duan, Tao and Zhu, Wenkun and He, Rong
          Seismological Society of America, 2021, 286, 119894, Elsevier
        23. article: Oxygen vacancy on hollow sphere CuFe2O4 as an efficient Fenton-like catalysis for organic pollutant degradation over a wide pH range
          Ding, Rong-Rong and Li, Wen-Qiang and He, Chuan-Shu and Wang, Yi-Ran and Liu, Xiao-Cheng and Zhou, Guan-Nan and Mu, Yang
          Seismological Society of America, 2021, 291, 120069, Elsevier
        24. article: Interhemispheric transport of metallic ions within ionospheric sporadic E layers by the lower thermospheric meridional circulation
          Yu, Bingkun and Xue, Xianghui and Scott, Christopher J and Wu, Jianfei and Yue, Xinan and Feng, Wuhu and Chi, Yutian and Marsh, Daniel R and Liu, Hanli and Dou, Xiankang and others
          Seismological Society of America, 2021, 21, 4219--4230, 5, Copernicus GmbH
        25. article: Self-consistent Global Transport of Metallic Ions with WACCM-X
          Wu, Jianfei and Feng, Wuhu and Liu, Han-Li and Xue, Xianghui and Marsh, Daniel R and Plane, John
          Seismological Society of America, 2021, 1--17, Copernicus GmbH
        26. article: Latency-aware automatic CNN channel pruning with GPU runtime analysis
          Liu, Jiaqiang and Sun, Jingwei and Xu, Zhongtian and Sun, Guangzhong
          Seismological Society of America, 2021, 100009, Elsevier
        27. article: The Origin of Elastic Turbulence in the Taylor-Couette Flow: A Direct Numerical Simulation Study
          Khomami, Bamin and Liu, NanSheng and Song, Jiaxing
          Seismological Society of America, 2021, APS
        28. article: Intrinsic kink deformation in nanocellulose
          Hou, YuanZhen and He, ZeZhou and Zhu, YinBo and Wu, HengAn
          Seismological Society of America, 2021, 273, 118578, Elsevier
        29. article: Edge-nitrogen enriched carbon nanosheets for potassium-ion battery anodes with an ultrastable cycling stability
          Chu, Kainian and Zhang, Xiaojuan and Yang, Yang and Li, Zhiqiang and Wei, Lingzhi and Yao, Ge and Zheng, Fangcai and Chen, Qianwang
          Seismological Society of America, 2021, 184, 277--286, Elsevier
        30. article: Surface morphological effects on gas transport through nanochannels with atomically smooth walls
          Qian, JianHao and Li, YiHeng and Wu, HengAn and Wang, FengChao
          Seismological Society of America, 2021, 180, 85--91, Elsevier
        31. article: COVID-19 immune features revealed by a large-scale single-cell transcriptome atlas
          Ren, Xianwen and Wen, Wen and Fan, Xiaoying and Hou, Wenhong and Su, Bin and Cai, Pengfei and Li, Jiesheng and Liu, Yang and Tang, Fei and Zhang, Fan and others
          Seismological Society of America, 2021, 184, 1895--1913, 7, Elsevier
        32. article: Chromatin accessibility analysis identifies the transcription factor ETV5 as a suppressor of adipose tissue macrophage activation in obesity
          Hu, Ren-Dong and Zhang, Wen and Li, Liang and Zuo, Zu-Qi and Ma, Min and Ma, Jin-Fen and Yin, Ting-Ting and Gao, Cai-Yue and Yang, Shu-Han and Zhao, Zhi-Bin and others
          Seismological Society of America, 2021, 12, 1--11, 11, Nature Publishing Group
        33. article: Single-cell profiling of the human decidual immune microenvironment in patients with recurrent pregnancy loss
          Guo, Chuang and Cai, Pengfei and Jin, Liying and Sha, Qing and Yu, Qiaoni and Zhang, Wen and Jiang, Chen and Liu, Qian and Zong, Dandan and Li, Kun and others
          Seismological Society of America, 2021, 7, 1--15, 1, Nature Publishing Group
        34. article: Atomic-level insights into the activation of nitrogen via hydrogen-bond interaction toward nitrogen photofixation
          Xin, Yue and Wang, Sanmei and Yuan, Haibo and Hou, Tingting and Zhu, Wenkun and Liu, Yuexiao and Yao, Yuan and Zhang, Wenhua and Liang, Shuquan and Wang, Liangbing
          Seismological Society of America, 2021, Elsevier
        35. article: A trifecta of gC 3 N 4: enhanced visible-spectrum absorption, increased structural distortion and boosted electronic-transfer dynamics
          Liu, Huanhuan and Wang, Haifei and Zhang, Fu and Xue, Jierui and Zhang, Jihua and Zhang, Genqiang
          Seismological Society of America, 2021, 57, 927--930, 7, Royal Society of Chemistry
        36. article: Catalytic combustion of methyl butanoate over HZSM-5 zeolites
          Zhai, Yitong and Feng, Beibei and Meng, Qinghui and Ao, Chengcheng and Qian, Siyu and Zhang, Lidong
          Seismological Society of America, 2021, 57, 2233--2244, 18, Royal Society of Chemistry
        37. article: Unexpected Diels--Alder reaction of [60] fullerene with electron-deficient ferrocenes as cyclopentadiene surrogates
          Liu, Zhan and Yin, Zheng-Chun and Lu, Wen-Qiang and Zhou, Dian-Bing and Wang, Guan-Wu
          Seismological Society of America, 2021, 57, 13389--13392, 98, Royal Society of Chemistry
        38. article: Efficient generation of singlet oxygen (1O2) by hollow amorphous Co/C composites for selective degradation of oxytetracycline via Fenton-like process
          Hong, Peidong and Wu, Zijian and Yang, Dandan and Zhang, Kaisheng and He, Junyong and Li, Yulian and Xie, Chao and Yang, Wu and Yang, Ya and Kong, Lingtao and others
          Seismological Society of America, 2021, 421, 129594, Elsevier
        39. article: Free-standing two-dimensional ruthenium-beryllium nanosheets for alkaline hydrogen evolution
          Xu, Jie and Wang, Sini and Yang, Chenglong and Li, Tingting and Liu, Qiangchun and Kong, Xiangkai
          Seismological Society of America, 2021, 421, 129741, Elsevier
        40. article: Induced generation of hydroxyl radicals from green rust under oxic conditions by iron-phosphate complexes
          Fang, Liping and Xu, Ling and Deng, Jia and Gao, Shuxian and Huang, Li-Zhi
          Seismological Society of America, 2021, 414, 128780, Elsevier
        41. article: A rationally designed two-dimensional MoSe 2/Ti 2 CO 2 heterojunction for photocatalytic overall water splitting: simultaneously suppressing electron--hole recombination and photocorrosion
          Fu, Cen-Feng and Li, Xingxing and Yang, Jinlong
          Seismological Society of America, 2021, 12, 2863--2869, 8, Royal Society of Chemistry
        42. article: A stable triplet diradical emitter
          Feng, Zhongtao and Chong, Yuanyuan and Tang, Shuxuan and Fang, Yong and Zhao, Yue and Jiang, Jun and Wang, Xinping
          Seismological Society of America, 2021, 12, 15151--15156, 45, Royal Society of Chemistry
        43. article: Orthogonally aligned cyclic BODIPY arrays with long-lived triplet excited states as efficient heavy-atom-free photosensitizers
          Zhu, Zhaoyang and Zhang, Xue and Guo, Xing and Wu, Qinghua and Li, Zhongxin and Yu, Changjiang and Hao, Erhong and Jiao, Lijuan and Zhao, Jianzhang
          Seismological Society of America, 2021, 12, 14944--14951, 44, Royal Society of Chemistry
        44. article: Unraveling the low-temperature oxidation mechanism between methyl crotonate radicals and O2
          Ruan, Shanshan and Zhai, Yitong and Ao, Chengcheng and He, Chenliang and Xu, Kangwei and Zhang, Lidong
          Seismological Society of America, 2021, 231, 111473, Elsevier
        45. article: Elasticity of hydrous ringwoodite at mantle conditions: Implication for water distribution in the lowermost mantle transition zone
          Wang, Wenzhong and Zhang, Han and Brodholt, John P and Wu, Zhongqing
          Seismological Society of America, 2021, 554, 116626, Elsevier
        46. article: Study of power conversion system for Chinese Fusion Engineering Testing Reactor
          Chen, Zhansheng and Wan, Teng and Zhao, Pinghui and Lei, Mingzhun and Li, Yuanjie
          Seismological Society of America, 2021, 218, 119495, Elsevier
        47. article: In situ ion-exchange preparation and topological transformation of trimetal--organic frameworks for efficient electrocatalytic water oxidation
          Yue, Kaihang and Liu, Jianglin and Zhu, Yuting and Xia, Chenfeng and Wang, Ping and Zhang, Jiangwei and Kong, Yuan and Wang, Xianying and Yan, Ya and Xia, Bao Yu
          Seismological Society of America, 2021, Royal Society of Chemistry
        48. article: Experimental study on a high efficient and ultra-lean burn meso-scale thermoelectric system based on porous media combustion
          Qian, Peng and Yuan, Xiaoping and Chen, Zhiwei and Luo, Chengyuan and Huang, Zizhen and Zhu, Xiugen and Liu, Minghou
          Seismological Society of America, 2021, 234, 113966, Elsevier
        49. article: Satisfying both sides: Novel low-cost soluble redox mediator ethoxyquin for high capacity and low overpotential Li-O2 batteries
          Wan, Hao and Sun, Yingjie and Li, Zhendong and Wang, Weiwei and Zhu, Yongchun and Qian, Yitai
          Seismological Society of America, 2021, 40, 159--165, Elsevier
        50. article: In Situ-Formed Phenoxyl Radical on the CuO Surface Triggers Efficient Persulfate Activation for Phenol Degradation
          Huang, Mingjie and Han, Yi and Xiang, Wei and Zhong, Delai and Wang, Chen and Zhou, Tao and Wu, Xiaohui and Mao, Juan
          Seismological Society of America, 2021, 55, 15361--15370, 22, ACS Publications
        51. article: Iron Cycle Tuned by Outer-Membrane Cytochromes of Dissimilatory Metal-Reducing Bacteria: Interfacial Dynamics and Mechanisms In Vitro
          Yu, Sheng-Song and Chen, Jie-Jie and Cheng, Rui-Fen and Min, Yuan and Yu, Han-Qing
          Seismological Society of America, 2021, 55, 11424--11433, 16, ACS Publications
        52. article: Coating ligand-mediated dynamic formation of natural organic matter (NOM) corona on engineered nanoparticles in natural environments
          Yang, Chuan-Wang and Yuan, Li and Zhou, Hong-Zhi and Zhang, Xin and Sheng, Guo-Ping
          Seismological Society of America, 2021, 8, 1029--1041, 4, Royal Society of Chemistry
        53. article: Development of double-positive thymocytes at single-cell resolution
          Li, Young and Li, Kun and Zhu, Lianbang and Li, Bin and Zong, Dandan and Cai, Pengfei and Jiang, Chen and Du, Pengcheng and Lin, Jun and Qu, Kun
          Seismological Society of America, 2021, 13, 1--18, 1, BioMed Central
        54. article: FertilityOnline, A Straight Pipeline for Functional Gene Annotation and Disease Mutation Discovery
          Gao, Jianing and Zhang, Huan and Jiang, Xiaohua and Ali, Asim and Zhao, Daren and Bao, Jianqiang and Jiang, Long and Iqbal, Furhan and Shi, Qinghua and Zhang, Yuanwei
          Seismological Society of America, 2021, Elsevier
        55. article: Equilibrium barium isotope fractionation between minerals and aqueous solution from first-principles calculations
          Wang, Wenzhong and Wu, Zhongqing and Huang, Fang
          Seismological Society of America, 2021, 292, 64--77, Elsevier
        56. article: First-principles calculations of equilibrium nitrogen isotope fractionations among aqueous ammonium, silicate minerals and salts
          Li, Yonghui and Li, Long and Wu, Zhongqing
          Seismological Society of America, 2021, 297, 220--232, Elsevier
        57. article: Iron force constants of bridgmanite at high pressure: Implications for iron isotope fractionation in the deep mantle
          Wang, Wenzhong and Liu, Jiachao and Yang, Hong and Dorfman, Susannah M and Lv, Mingda and Li, Jie and Zhu, Feng and Zhao, Jiyong and Hu, Michael Y and Bi, Wenli and others
          Seismological Society of America, 2021, 294, 215--231, Elsevier
        58. article: Chinese Regulations Are Working—Why Is Surface Ozone Over Industrialized Areas Still High? Applying Lessons From Northeast US Air Quality Evolution
          Chen, Xiaokang and Jiang, Zhe and Shen, Yanan and Li, Rui and Fu, Yunfei and Liu, Jane and Han, Han and Liao, Hong and Cheng, Xugeng and Jones, Dylan BA and others
          Seismological Society of America, 2021, 48, e2021GL092816, 14, Wiley Online Library
        59. article: Global effects of a polar solar eclipse on the coupled magnetosphere-ionosphere system
          Chen, Xuetao and Dang, Tong and Zhang, Binzheng and Lotko, William and Pham, Kevin and Wang, Wenbin and Lin, Dong and Sorathia, Kareem and Merkin, Viacheslav and Luan, Xiaoli and others
          Seismological Society of America, 2021, e2021GL096471, Wiley Online Library
        60. article: Supershear rupture, daughter cracks, and the definition of rupture velocity
          Hu, Feng and Oglesby, David D and Wu, Baoning and Chen, Xiaofei
          Seismological Society of America, 2021, e2021GL092832, Wiley Online Library
        61. article: Azimuthal averaging--reconstruction filtering techniques for finite-difference general circulation models in spherical geometry
          Dang, Tong and Zhang, Binzheng and Lei, Jiuhou and Wang, Wenbin and Burns, Alan and Liu, Han-li and Pham, Kevin and Sorathia, Kareem A
          Seismological Society of America, 2021, 14, 859--873, 2, Copernicus GmbH
        62. article: A generalized examination of capillary force balance at contact line: On rough surfaces or in two-liquid systems
          Fan, JingCun and De Coninck, Jo"el and Wu, HengAn and Wang, FengChao
          Seismological Society of America, 2021, 585, 320--327, Elsevier
        63. article: N and O multi-coordinated vanadium single atom with enhanced oxygen reduction activity
          Cheng, Ling and Huang, Hao and Lin, Zhiyu and Yang, Yang and Yuan, Qing and Hu, Lin and Wang, Changlai and Chen, Qianwang
          Seismological Society of America, 2021, 594, 466--473, Elsevier
        64. article: Superior surface electron energy level endows WP2 nanowire arrays with N2 fixation functions
          Han, Dongdong and Liu, Xiaojing and Cai, Jinyan and Xie, Yufang and Niu, Shuwen and Wu, Yishang and Zang, Yipeng and Fang, Yanyan and Zhao, Fengqi and Qu, Wengang and others
          Seismological Society of America, 2021, 59, 55--62, Elsevier
        65. article: An Ultrafast and Ultra-Low-Temperature Hydrogen Gas--Proton Battery
          Zhu, Zhengxin and Wang, Weiping and Yin, Yichen and Meng, Yahan and Liu, Zaichun and Jiang, Taoli and Peng, Qia and Sun, Jifei and Chen, Wei
          Seismological Society of America, 2021, ACS Publications
        66. article: Chiral Phosphine--Copper Iodide Hybrid Cluster Assemblies for Circularly Polarized Luminescence
          Wang, Jing-Jing and Zhou, Hui-Ting and Yang, Jun-Nan and Feng, Li-Zhe and Yao, Ji-Song and Song, Kuang-Hui and Zhou, Man-Man and Jin, Shan and Zhang, Guozhen and Yao, Hong-Bin
          Seismological Society of America, 2021, 143, 10860--10864, 29, ACS Publications
        67. article: Ru--Se coordination: A New dynamic bond for visible-light-responsive materials
          Han, Jianxiong and Xie, Chaoming and Huang, Yun-Shuai and Wagner, Manfred and Liu, Wendong and Zeng, Xiaolong and Liu, Jiahui and Sun, Shijie and Koynov, Kaloian and Butt, Hans-Ju?rgen and others
          Seismological Society of America, 2021, 143, 12736--12744, 32, ACS Publications
        68. article: Single-molecule electrical spectroscopy of organocatalysis
          Yang, Chen and Zhang, Lei and Li, Huiping and Guo, Yilin and Jia, Chuancheng and Zhu, Wenguang and Mo, Fanyang and Guo, Xuefeng
          Seismological Society of America, 2021, Elsevier
        69. article: Ni2+/Co2+ doped Au-Fe7S8 nanoplatelets with exceptionally high oxygen evolution reaction activity
          Javaid, Shaghraf and Xu, Xiaomin and Chen, Wei and Chen, Jiayi and Hsu, Hsien-Yi and Wang, Sheng and Yang, Xuyong and Li, Yunguo and Shao, Zongping and Jones, Franca and others
          Seismological Society of America, 2021, 89, 106463, Elsevier
        70. article: Bright and Near-Unity Polarized Light Emission Enabled by Highly Luminescent Cu2I2-Dimer Cluster-Based Hybrid Materials
          Wang, Jing-Jing and Mao, Xiaoyu and Yang, Jun-Nan and Yin, Yi-Chen and Yao, Ji-Song and Feng, Li-Zhe and Zhu, Feng and Ma, Cheng and Yang, Cui and Zou, Gang and others
          Seismological Society of America, 2021, 21, 4115--4121, 9, ACS Publications
        71. article: Designing Two-Dimensional Versatile Room-Temperature Ferromagnets via Assembling Large-Scale Magnetic Quantum Dots
          Liu, Xiaofeng and Qin, Xinming and Li, Xiangyang and Ding, Zijing and Li, Xingxing and Hu, Wei and Yang, Jinlong
          Seismological Society of America, 2021, ACS Publications
        72. article: Electric-Field Tunable Magnetism in van der Waals Bilayers with A-Type Antiferromagnetic Order: Unipolar versus Bipolar Magnetic Semiconductor
          Lv, Haifeng and Niu, Yijie and Wu, Xiaojun and Yang, Jinlong
          Seismological Society of America, 2021, 21, 7050--7055, 16, ACS Publications
        73. article: Micromechanical landscape of three-dimensional disordered graphene networks
          Zhu, YinBo and Wang, YongChao and Wu, Bao and He, ZeZhou and Xia, Jun and Wu, HengAn
          Seismological Society of America, 2021, 21, 8401--8408, 19, ACS Publications
        74. article: Strain-Stabilized Metastable Face-Centered Tetragonal Gold Overlayer for Efficient CO2 Electroreduction
          Yu, Dan and Gao, Lei and Sun, Tulai and Guo, Jingchun and Yuan, Yuliang and Zhang, Jiawei and Li, Mengfan and Li, Xingxing and Liu, Maochang and Ma, Chao and others
          Seismological Society of America, 2021, 21, 1003--1010, 2, ACS Publications
        75. article: Accelerating water dissociation kinetics of Ni3N by tuning interfacial orbital coupling
          Wu, Yishang and Xie, Yufang and Niu, Shuwen and Zang, Yipeng and Cai, Jinyan and Bian, Zenan and Yin, Xuanwei and Fang, Yanyan and Sun, Da and Niu, Di and others
          Seismological Society of America, 2021, 1--8, Springer
        76. article: Oxygen modified CoP2 supported palladium nanoparticles as highly efficient catalyst for hydrolysis of ammonia borane
          Zhang, Leijie and Ye, Jian and Tu, Yi and Wang, Qingyu and Pan, Haibin and Wu, Lihui and Zheng, Xusheng and Zhu, Junfa
          Seismological Society of America, 2021, 1--8, Springer
        77. article: Structural engineering of sulfur-doped carbon encapsulated bismuth sulfide core-shell structure for enhanced potassium storage performance
          Wang, Changlai and Lu, Jian and Tong, Huigang and Wu, Shuilin and Wang, Dongdong and Liu, Bin and Cheng, Ling and Lin, Zhiyu and Hu, Lin and Wang, Hui and others
          Seismological Society of America, 2021, 1--7, Springer
        78. article: Surface Oxygen Injection in Tin Disulfide Nanosheets for Efficient CO2 Electroreduction to Formate and Syngas
          Chen, Tao and Liu, Tong and Ding, Tao and Pang, Beibei and Wang, Lan and Liu, Xiaokang and Shen, Xinyi and Wang, Sicong and Wu, Dan and Liu, Dong and others
          Seismological Society of America, 2021, 13, 1--11, 1, Springer
        79. article: Boosting the K+-adsorption capacity in edge-nitrogen doped hierarchically porous carbon spheres for ultrastable potassium ion battery anodes
          Xu, Yang and Sun, Xinpeng and Li, Zhiqiang and Wei, Lingzhi and Yao, Ge and Niu, Heling and Yang, Yang and Zheng, Fangcai and Chen, Qianwang
          Seismological Society of America, 2021, 13, 19634--19641, 46, Royal Society of Chemistry
        80. article: CrSbS 3 monolayer: a potential phase transition ferromagnetic semiconductor
          Feng, Qingqing and Li, Xiangyang and Li, Xingxing and Yang, Jinlong
          Seismological Society of America, 2021, 13, 14067--14072, 33, Royal Society of Chemistry
        81. article: Nodal-loop half metallicity in a two-dimensional Fe 4 N 2 pentagon crystal with room-temperature ferromagnetism
          Zhang, Kai and Chen, Minglong and Wang, Dayong and Lv, Haifeng and Wu, Xiaojun and Yang, Jinlong
          Seismological Society of America, 2021, 13, 19493--19499, 46, Royal Society of Chemistry
        82. article: Precise fabrication of single-atom alloy co-catalyst with optimal charge state for enhanced photocatalysis
          Pan, Yating and Qian, Yunyang and Zheng, Xusheng and Chu, Sheng-Qi and Yang, Yijun and Ding, Chunmei and Wang, Xi and Yu, Shu-Hong and Jiang, Hai-Long
          Seismological Society of America, 2021, 8, nwaa224, 1, Oxford University Press
        83. article: Untangling the contributions of meteorological conditions and human mobility to tropospheric NO2 in Chinese mainland during the COVID-19 pandemic in early 2020
          Zhang, Yuxiang and Bo, Haixu and Jiang, Zhe and Wang, Yu and Fu, Yunfei and Cao, Bingwei and Wang, Xuewen and Chen, Jiaqi and Li, Rui
          Seismological Society of America, 2021, 8, nwab061, 11, Oxford University Press
        84. article: Bimetallic monolayer catalyst breaks the activity--selectivity trade-off on metal particle size for efficient chemoselective hydrogenations
          Guan, Qiaoqiao and Zhu, Chuwei and Lin, Yue and Vovk, Evgeny I and Zhou, Xiaohong and Yang, Yong and Yu, Hancheng and Cao, Lina and Wang, Hengwei and Zhang, Xiaohui and others
          Seismological Society of America, 2021, 4, 840--849, 10, Nature Publishing Group
        85. article: Stoichiometric two-dimensional non-van der Waals AgCrS2 with superionic behaviour at room temperature
          Peng, Jing and Liu, Yuhua and Lv, Haifeng and Li, Yuxuan and Lin, Yue and Su, Yueqi and Wu, Jiajing and Liu, Hongfei and Guo, Yuqiao and Zhuo, Zhiwen and others
          Seismological Society of America, 2021, 13, 1235--1240, 12, Nature Publishing Group
        86. article: Synthesis of bilayer borophene
          Chen, Caiyun and Lv, Haifeng and Zhang, Ping and Zhuo, Zhiwen and Wang, Yu and Ma, Chen and Li, Wenbin and Wang, Xuguang and Feng, Baojie and Cheng, Peng and others
          Seismological Society of America, 2021, 1--7, Nature Publishing Group
        87. Article: Formation of large low shear velocity provinces through the decomposition of oxidized mantle
          Wang, Wenzhong and Liu, Jiachao and Zhu, Feng and Li, Mingming and Dorfman, Susannah M and Li, Jie and Wu, Zhongqing
          Nature communications, 2021, 12, 1--10, 1, Nature Publishing Group
        88. article: Integrating single-cobalt-site and electric field of boron nitride in dechlorination electrocatalysts by bioinspired design
          Min, Yuan and Zhou, Xiao and Chen, Jie-Jie and Chen, Wenxing and Zhou, Fangyao and Wang, Zhiyuan and Yang, Jia and Xiong, Can and Wang, Ying and Li, Fengting and others
          Nature communications, 2021, 12, 1--10, 1, Nature Publishing Group
        89. article: Intrareticular charge transfer regulated electrochemiluminescence of donor--acceptor covalent organic frameworks
          Luo, Rengan and Lv, Haifeng and Liao, Qiaobo and Wang, Ningning and Yang, Jiarui and Li, Yang and Xi, Kai and Wu, Xiaojun and Ju, Huangxian and Lei, Jianping
          Nature communications, 2021, 12, 1--9, 1, Nature Publishing Group
        90. article: Nickel isotopic evidence for late-stage accretion of Mercury-like differentiated planetary embryos
          Wang, Shui-Jiong and Wang, Wenzhong and Zhu, Jian-Ming and Wu, Zhongqing and Liu, Jingao and Han, Guilin and Teng, Fang-Zhen and Huang, Shichun and Wu, Hongjie and Wang, Yujian and others
          Nature communications, 2021, 12, 1--7, 1, Nature Publishing Group
        91. article: The active sites of Cu--ZnO catalysts for water gas shift and CO hydrogenation reactions
          Zhang, Zhenhua and Chen, Xuanye and Kang, Jincan and Yu, Zongyou and Tian, Jie and Gong, Zhongmiao and Jia, Aiping and You, Rui and Qian, Kun and He, Shun and others
          Nature communications, 2021, 12, 1--9, 1, Nature Publishing Group
        92. article: Water enables mild oxidation of methane to methanol on gold single-atom catalysts
          Luo, Laihao and Luo, Jie and Li, Hongliang and Ren, Fangning and Zhang, Yifei and Liu, Andong and Li, Wei-Xue and Zeng, Jie
          Nature communications, 2021, 12, 1--10, 1, Nature Publishing Group
        93. article: Sulfur isotopic signature of Earth established by planetesimal volatile evaporation
          Wang, Wenzhong and Li, Chun-Hui and Brodholt, John P and Huang, Shichun and Walter, Michael J and Li, Min and Wu, Zhongqing and Huang, Fang and Wang, Shui-Jiong
          Nature communications, 2021, 14, 806--811, 11, Nature Publishing Group
        94. article: Enhancing Circular Dichroism Signals with Vector Beams
          Ye, Lyuzhou and Yang, Longqing and Zheng, Xiao and Mukamel, Shaul
          Nature communications, 2021, 126, 123001, 12, APS
        95. article: Higher-Order Band Topology in Twisted Moir'e Superlattice
          Liu, Bing and Xian, Lede and Mu, Haimen and Zhao, Gan and Liu, Zhao and Rubio, Angel and Wang, ZF
          Nature communications, 2021, 126, 066401, 6, APS
        96. article: Mechanical Vibrational Relaxation of NO Scattering from Metal and Insulator Surfaces: When and Why They Are Different
          Yin, Rongrong and Jiang, Bin
          Nature communications, 2021, 126, 156101, 15, APS
        97. article: Realizing Kagome Band Structure in Two-Dimensional Kagome Surface States of R V 6 Sn 6 (R= Gd, Ho)
          Peng, Shuting and Han, Yulei and Pokharel, Ganesh and Shen, Jianchang and Li, Zeyu and Hashimoto, Makoto and Lu, Donghui and Ortiz, Brenden R and Luo, Yang and Li, Houchen and others
          Nature communications, 2021, 127, 266401, 26, APS
        98. article: Strong quantum computational advantage using a superconducting quantum processor
          Wu, Yulin and Bao, Wan-Su and Cao, Sirui and Chen, Fusheng and Chen, Ming-Cheng and Chen, Xiawei and Chung, Tung-Hsun and Deng, Hui and Du, Yajie and Fan, Daojin and others
          Nature communications, 2021, 127, 180501, 18, APS
        99. article: AI-based spectroscopic monitoring of real-time interactions between SARS-CoV-2 and human ACE2
          Ye, Sheng and Zhang, Guozhen and Jiang, Jun
          Nature communications, 2021, 118, 26, National Acad Sciences
        100. article: Unveiling the “invisible” druggable conformations of GDP-bound inactive Ras
          Liu, Dan and Mao, Yunyun and Gu, Xue and Zhou, Yang and Long, Dong
          Nature communications, 2021, 118, 11, National Acad Sciences
        101. article: Sabatier principle of metal-support interaction for design of ultrastable metal nanocatalysts
          Hu, Sulei and Li, Wei-Xue
          Nature communications, 2021, eabi9828, American Association for the Advancement of Science
        102. article: Real-time GW-BSE investigations on spin-valley exciton dynamics in monolayer transition metal dichalcogenide
          Jiang, Xiang and Zheng, Qijing and Lan, Zhenggang and Saidi, Wissam A and Ren, Xinguo and Zhao, Jin
          Nature communications, 2021, 7, eabf3759, 10, American Association for the Advancement of Science
        103. article: Unifying fluctuation-dissipation temperatures of slow-evolving nonequilibrium systems from the perspective of inherent structures
          Zhang, Jianhua and Zheng, Wen and Zhang, Shiyun and Xu, Ding and Nie, Yunhuan and Jiang, Zhehua and Xu, Ning
          Nature communications, 2021, 7, eabg6766, 31, American Association for the Advancement of Science
        104. article: High performance computing of DGDFT for tens of thousands of atoms using millions of cores on Sunway TaihuLight
          Hu, Wei and Qin, Xinming and Jiang, Qingcai and Chen, Junshi and An, Hong and Jia, Weile and Li, Fang and Liu, Xin and Chen, Dexun and Liu, Fangfang and others
          Nature communications, 2021, 66, 111--119, 2, Elsevier
        105. article: Selective electrochemical oxidation of aromatic hydrocarbons and preparation of mono/multi-carbonyl compounds
          Li, Zhibin and Zhang, Yan and Li, Kuiliang and Zhou, Zhenghong and Zha, Zhenggen and Wang, Zhiyong
          Nature communications, 2021, 64, 2134--2141, 12, Springer
        106. article: Surface modification boosts exciton extraction in confined layered structure for selective oxidation reaction
          Jin, Sen and Wang, Hui and Li, Lei and Luo, Xiao and Sun, Xianshun and Zuo, Ming and Tian, Jie and Zhang, Xiaodong and Xie, Yi
          Nature communications, 2021, 64, 1964--1969, 11, Springer
        107. article: Fast dechlorination of trichloroethylene by a bimetallic Fe (OH) 2/Ni composite
          Deng, Jia and Zhan, Xiang and Wu, Feng and Gao, Shuxian and Huang, Li-Zhi
          Nature communications, 2021, 278, 119597, Elsevier
        108. article: Gas-phase Formation of Cationic Fullerene/Amino Acid Clusters: Evidence for the “Magic Number” Chemical Reactivity of Fullerene Cations
          Hu, Xiaoyi and Zhang, Deping and Yang, Yuanyuan and Chen, Yang and Qin, Liping and Zhen, Junfeng
          Nature communications, 2021, 918, 81, 2, IOP Publishing
        109. article: Parametric simulation studies on the wave propagation of solar radio emission: the source size, duration, and position
          Zhang, PeiJin and Wang, ChuanBing and Kontar, Eduard P
          Nature communications, 2021, 909, 195, 2, IOP Publishing
        110. article: An Arabidopsis expression predictor enables inference of transcriptional regulators for gene modules
          Geng, Haiying and Wang, Meng and Gong, Jiazhen and Xu, Yupu and Ma, Shisong
          Nature communications, 2021, 107, 597--612, 2, Wiley Online Library
        111. article: Generation of atomic hydrogen by Ni-Fe hydroxides: Mechanism and activity for hydrodechlorination of trichloroethylene
          Deng, Jia and Gao, Enlai and Wu, Feng and You, Zhixiong and Li, Xiaozhong and Gao, Shuxian and Huang, Li-Zhi
          Nature communications, 2021, 207, 117802, Elsevier
        112. article: Tailoring the Electrochemical Protonation Behavior of CO2 by Tuning Surface Noncovalent Interactions
          Liu, Xiao-Cheng and Wei, Cong and Wu, Yishang and Fang, Yanyan and Li, Wen-Qiang and Ding, Rong-Rong and Wang, Gongming and Mu, Yang
          Nature communications, 2021, 11, 14986--14994, ACS Publications
        113. article: Cation--dipole interaction that creates ordered ion channels in an anion exchange membrane for fast OH- conduction
          Zhang, Jianjun and He, Yubin and Zhang, Kaiyu and Liang, Xian and Bance-Soualhi, Rachida and Zhu, Yuan and Ge, Xiaolin and Shehzad, Muhammad A and Yu, Weisheng and Ge, Zijuan and others
          Nature communications, 2021, 67, e17133, 4, Wiley Online Library
        114. article: Nanoscale deformation and crack processes of kaolinite under water impact using molecular dynamics simulations
          Jia, Xiaotian and Hao, Youzhi and Li, Peichao and Zhang, Xin and Lu, Detang
          Nature communications, 2021, 206, 106071, Elsevier
        115. article: Low-energy electron inelastic mean free path and elastic mean free path of graphene
          Yang, LH and Da, B and Yoshikawa, H and Tanuma, S and Hu, J and Liu, JW and Tang, DM and Ding, ZJ
          Nature communications, 2021, 118, 053104, 5, AIP Publishing LLC
        116. article: Anomalous ion transport through angstrom-scale pores: Effect of hydration shell exchange on ion mobility
          Li, YiHeng and Yu, YanZi and Qian, JianHao and Wu, HengAn and Wang, FengChao
          Nature communications, 2021, 560, 150022, Elsevier
        117. article: Effect of single-hydrogen-induced out-of-plane passivation on plasmon excitation in nanostructured graphene
          Lu, Dabao and Hou, Zhufeng and Li, Huimin and Da, Bo and Ding, ZJ
          Nature communications, 2021, 553, 149558, Elsevier
        118. article: Migration and oxidation of vanadium atom and dimer supported on anatase TiO2 (1 0 1) surface
          Huang, Zequan and Ma, Shanshan and Qu, Bingyan and Li, Dongdong and Zhou, Rulong
          Nature communications, 2021, 565, 150517, Elsevier
        119. article: Heat transfer enhancement of droplet two-phase flow in cylindrical microchannel
          Li, Xinlong and He, Liqun and Qian, Peng and Huang, Zizhen and Luo, Chengyuan and Liu, Minghou
          Nature communications, 2021, 186, 116474, Elsevier
        120. article: Chromatin accessibility landscapes of immune cells in rheumatoid arthritis nominate monocytes in disease pathogenesis
          Zong, Dandan and Huang, Beibei and Li, Young and Lu, Yichen and Xiang, Nan and Guo, Chuang and Liu, Qian and Sha, Qing and Du, Pengcheng and Yu, Qiaoni and others
          Nature communications, 2021, 19, 1--15, 1, BioMed Central
        121. article: WEDGE: imputation of gene expression values from single-cell RNA-seq datasets using biased matrix decomposition
          Hu, Yinlei and Li, Bin and Zhang, Wen and Liu, Nianping and Cai, Pengfei and Chen, Falai and Qu, Kun
          Nature communications, 2021, 22, bbab085, 5, Oxford University Press
        122. article: Exploring the OH-initiated reactions of styrene in the atmosphere and the role of Van der Waals complex
          Wu, Xiaoqing and Hou, Qifeng and Huang, Jiabin and Chai, Jiajue and Zhang, Feng
          Nature communications, 2021, 131004, Elsevier
        123. article: A-site Cation Defects (Ba0. 5Sr0. 5) 1--xCo0. 8Fe0. 2O3--$delta$ Perovskites as Active Oxygen Evolution Reaction Catalyst in Alkaline Electrolyte
          Tang, Lulu and Rao, Yifei and Wei, Lianwei and Zheng, Hui and Liu, Huimin and Zhang, Wenhua and Tang, Kaibin
          Nature communications, 2021, 39, 2692--2698, 10, Wiley Online Library
        124. article: Stable Boron-Containing Blue-Photoluminescent Radicals
          Feng, Zhongtao and Chong, Yuanyuan and Tang, Shuxuan and Ruan, Huapeng and Fang, Yong and Zhao, Yue and Jiang, Jun and Wang, Xinping
          Nature communications, 2021, 39, 1297--1302, 5, Wiley Online Library
        125. article: Feasibility study of CP violation in decays at the Super Tau Charm Facility
          Sang, Haoyu and Shi, Xiaodong and Zhou, Xiaorong and Kang, Xianwei and Liu, Jianbei
          Nature communications, 2021, 45, 053003, 5, IOP Publishing
        126. article: Accurate stress calculations based on numerical atomic orbital bases: Implementation and Benchmarks
          Zheng, Daye and Ren, Xinguo and He, Lixin
          Nature communications, 2021, 108043, Elsevier
        127. article: Solving the Grad--Shafranov equation using spectral elements for tokamak equilibrium with toroidal rotation
          Li, Haolong and Zhu, Ping
          Nature communications, 2021, 260, 107264, Elsevier
        128. article: A two-year water-stable 2D MOF with aqueous NIR photothermal conversion ability
          Xue, Xiang and Wang, Jinghang and Zhu, Qinyi and Xue, Yu and Liu, Hewen
          Nature communications, 2021, 50, 1374--1383, 4, Royal Society of Chemistry
        129. article: 2-Aminoterephthalic acid co-coordinated Co-MOF fluorescent probe for highly selective detection of the organophosphorus pesticides with p-nitrophenyl group in water systems
          Bai, Wenbo and Qin, Guoxu and Wang, Jing and Li, Lei and Ni, Yonghong
          Nature communications, 2021, 193, 109473, Elsevier
        130. article: Defected MoS2: An efficient electrochemical nitrogen reduction catalyst under mild conditions
          Ma, Chaoqun and Zhai, Naihua and Liu, Bingping and Yan, Shihai
          Nature communications, 2021, 370, 137695, Elsevier
        131. article: K doping as a rational method to enhance the sluggish air-electrode reaction kinetics for proton-conducting solid oxide cells
          Yang, Yi and Shi, Nai and Xie, Yun and Li, Xinyu and Hu, Xueyu and Zhu, Kang and Huan, Daoming and Peng, Ranran and Xia, Changrong and Lu, Yalin
          Nature communications, 2021, 389, 138453, Elsevier
        132. article: Integrating an Enhanced Sampling Method and Small-Angle X-Ray Scattering to Study Intrinsically Disordered Proteins
          Ding, Chengtao and Wang, Sheng and Zhang, Zhiyong
          Nature communications, 2021, 8, 103, Frontiers
        133. article: Theoretical investigation of chemical reaction kinetics of CO2 and vinyl radical under catalytic combustion
          Ao, Chengcheng and Ruan, Shanshan and He, Wei and He, Chenliang and Xu, Kangwei and Zhang, Lidong
          Nature communications, 2021, 305, 121566, Elsevier
        134. article: Toward high-level theoretical studies on the reaction kinetics of PAHs growth based on HACA pathway: An ONIOM [G3 (MP2, CC)//B3LYP: DFT] method developed
          Ao, Chengcheng and Ruan, Shanshan and He, Wei and Liu, Yi and He, Chenliang and Xu, Kangwei and Zhang, Lidong
          Nature communications, 2021, 301, 121052, Elsevier
        135. article: Lossy Compression of Communication Traces Using Recurrent Neural Networks
          Sun, Jingwei and Yan, Tao and Sun, Hao and Lin, Huancheng and Sun, Guangzhong
          Nature communications, 2021, IEEE
        136. article: First-Principles Study of Bi3+-Related Luminescence and Electron and Hole Traps in (Y/Lu/La) PO4
          Feng, Zhaoyang and Lou, Bibo and Yin, Min and Yeung, Yau-yuen and Sun, Hong-Tao and Duan, Chang-Kui
          Nature communications, 2021, 60, 4434--4446, 7, ACS Publications
        137. article: Self-Activated and Bismuth-Related Photoluminescence in Rare-Earth Vanadate, Niobate, and Tantalate Series—A First-Principles Study
          Feng, Zhaoyang and Lou, BiBo and Chen, Qiaoling and Yin, Min and Ma, Chong-Geng and Duan, Chang-Kui
          Nature communications, 2021, 60, 16614--16625, 21, ACS Publications
        138. article: Ternary Zinc Antimonides Unlocked Using Hydride Synthesis
          Gvozdetskyi, Volodymyr and Lee, Shannon J and Owens-Baird, Bryan and Dolyniuk, Juli-Anna and Cox, Tori and Wang, Renhai and Lin, Zijing and Ho, Kai-Ming and Zaikina, Julia V
          Nature communications, 2021, 60, 10686--10697, 14, ACS Publications
        139. article: Unveiling the High Catalytic Activity of a Dinuclear Iron Complex for the Oxygen Evolution Reaction
          Hu, Shaojin and Xu, Penglin and Xu, Rui-Xue and Zheng, Xiao
          Nature communications, 2021, 60, 7297--7305, 10, ACS Publications
        140. article: The influence of aspect ratio on flow states in the buoyancy-driven turbulence with free slip boundaries
          Wang, Ben and Wang, Qi and Wan, Zhen-Hua and Sun, De-Jun
          Nature communications, 2021, 178, 121639, Elsevier
        141. article: Parametric study of kW-class solid oxide fuel cell stacks fueled by hydrogen and methane with fully multiphysical coupling model
          Guo, Meiting and Xiao, Guoping and Wang, Jian-qiang and Lin, Zijing
          Nature communications, 2021, 46, 9488--9502, 14, Elsevier
        142. article: Outbreak of COVID-19 altered the relationship between memory bias and depressive degree in nonclinical depression
          Zhang, Pengyu and Piao, Yi and Chen, Ying and Ren, Jiecheng and Zhang, Longhua and Qiu, Bensheng and Wei, Zhengde and Zhang, Xiaochu
          Nature communications, 2021, 24, 102081, 2, Elsevier
        143. article: First principles study on low valence states photoluminescence in Bi-doped M2B5O9Cl crystals
          Chen, Qiaoling and Lou, Bibo and Jing, Weiguo and Yin, Min and Yeung, Yau-Yuen and Su, Liangbi and Duan, Chang-Kui
          Nature communications, 2021, 863, 158704, Elsevier
        144. article: Low-Rank Approximations Accelerated Plane-Wave Hybrid Functional Calculations with k-Point Sampling
          Wu, Kai and Qin, Xinming and Hu, Wei and Yang, Jinlong
          Nature communications, 2021, ACS Publications
        145. article: Searching Configurations in Uncertainty Space: Active Learning of High-Dimensional Neural Network Reactive Potentials
          Lin, Qidong and Zhang, Liang and Zhang, Yaolong and Jiang, Bin
          Nature communications, 2021, 17, 2691--2701, 5, ACS Publications
        146. article: The effect of depth-dependent stress in controlling free-surface-induced supershear rupture on strike-slip faults
          Hu, Feng and Oglesby, David D and Chen, Xiaofei
          Nature communications, 2021, e2020JB021459, Wiley Online Library
        147. article: A highly active defect engineered Cl-doped carbon catalyst for the N 2 reduction reaction
          Huang, Minxue and Gong, Shipeng and Wang, Sini and Yang, Kang and Chen, Shi and Wang, Changlai and Kong, Xiangkai and Chen, Qianwang
          Nature communications, 2021, 9, 5807--5814, 9, Royal Society of Chemistry
        148. Article: Antimony doping to greatly enhance the electrocatalytic performance of Sr 2 Fe 1.5 Mo 0.5 O 6- $delta$ perovskite as a ceramic anode for solid oxide fuel cells
          Zhang, Shaowei and Zhu, Kang and Hu, Xueyu and Peng, Ranran and Xia, Changrong
          Journal of Materials Chemistry A, 2021, 9, 24336--24347, 43, Royal Society of Chemistry
        149. Article: Formation of $eta$-Ga 2 O 3 nanorings from metal--organic frameworks and their high catalytic activity for epoxidation of alkenes
          Wang, Wei Ping and Li, Yao and Teng, Yue and Xia, Juan and Wang, Fang and Liu, Nan Ning and others
          Journal of Materials Chemistry A, 2021, 9, 349--357, 1, Royal Society of Chemistry
        150. Article: General surface grafting strategy-derived carbon-modified graphitic carbon nitride with largely enhanced visible light photocatalytic H 2 evolution coupled with benzyl alcohol oxidation
          Wang, Haifei and Zhang, Jihua and Jin, Xu and Wang, Xiaoqi and Zhang, Fu and Xue, Jierui and Li, Yapeng and Li, Jianming and Zhang, Genqiang
          Journal of Materials Chemistry A, 2021, 9, 7143--7149, 11, Royal Society of Chemistry
        151. article: Self-aggregating cationic-chains enable alkaline stable ion-conducting channels for anion-exchange membrane fuel cells
          Zhang, Jianjun and Zhang, Kaiyu and Liang, Xian and Yu, Weisheng and Ge, Xiaolin and Shehzad, Muhammad A and Ge, Zijuan and Yang, Zhengjin and Wu, Liang and Xu, Tongwen
          Journal of Materials Chemistry A, 2021, 9, 327--337, 1, Royal Society of Chemistry
        152. article: Single Mo 1 (W 1, Re 1) atoms anchored in pyrrolic-N 3 doped graphene as efficient electrocatalysts for the nitrogen reduction reaction
          Zhao, Wanghui and Chen, Lanlan and Zhang, Wenhua and Yang, Jinlong
          Journal of Materials Chemistry A, 2021, 9, 6547--6554, 10, Royal Society of Chemistry
        153. article: Tuning the nitrogen-doping configuration in carbon materials via sulfur doping for ultrastable potassium ion storage
          Xu, Yang and Wang, Changlai and Niu, Ping and Li, Zhiqiang and Wei, Lingzhi and Yao, Ge and Zheng, Fangcai and Chen, Qianwang
          Journal of Materials Chemistry A, 2021, 9, 16150--16159, 29, Royal Society of Chemistry
        154. article: Two-dimensional Multiferroic FeCl with Room Temperature Ferromagnetism and Tunable Magnetic Anisotropy via Ferroelectricity
          Sun, Yingjie and Feng, Tao and Li, Xiuling and Wu, Fang and Lv, Haifeng and Wu, Xiaojun
          Journal of Materials Chemistry A, 2021, Royal Society of Chemistry
        155. article: Probing the Allosteric Inhibition Mechanism of a Spike Protein Using Molecular Dynamics Simulations and Active Compound Identifications
          Wang, Qian and Wang, Lin and Zhang, Yumin and Zhang, XiangLei and Zhang, Leike and Shang, Weijuan and Bai, Fang
          Journal of Materials Chemistry A, 2021, ACS Publications
        156. article: Investigation of OH radical in the water nanodroplet during vapor freezing process: An ab initio molecular dynamics study
          Hadizadeh, Mohammad Hassan and Pan, Zhongyu and Azamat, Jafar
          Journal of Materials Chemistry A, 2021, 343, 117597, Elsevier
        157. article: Multi-scale modelling of gas transport and production evaluation in shale reservoir considering crisscrossing fractures
          Micheal, Marembo and Xu, WenLong and Xu, HengYu and Zhang, JiaNing and Jin, HongJie and Yu, Hao and Wu, HengAn
          Journal of Materials Chemistry A, 2021, 95, 104156, Elsevier
        158. article: Micro-alloying effects of Co on structural and dynamic properties of CeAlCu glass-forming melts by ab initio molecular dynamics simulations
          Li, Dongdong and Chen, Heng and Qu, Bingyan and Zhou, Rulong and Zhang, Fabao and Zhang, Bo
          Journal of Materials Chemistry A, 2021, 572, 121109, Elsevier
        159. article: Electron backscattering coefficients of molybdenum and tungsten based on the Monte Carlo simulations
          Yang, Lihao and Hussain, Abrar and Mao, Shifeng and Da, Bo and THok'esi, K'aroly and Ding, ZJ
          Journal of Materials Chemistry A, 2021, 553, 153042, Elsevier
        160. article: Retention and recycling of deuterium in liquid lithium-tin slab studied by first-principles molecular dynamics
          Zheng, Daye and Shen, Zhen-Xiong and Chen, Mohan and Ren, Xinguo and He, Lixin
          Journal of Materials Chemistry A, 2021, 543, 152542, Elsevier
        161. article: The mechanism on retention of hydrogen in three representative tungsten nitride compounds in nuclear fusion reactors
          Ye, XB and Pan, BC
          Journal of Materials Chemistry A, 2021, 544, 152687, Elsevier
        162. article: Origin of Rebound Suppression for Dilute Polymer Solution Droplets on Superhydrophobic Substrate
          Yan, Hong-Ji and Wan, Zhen-Hua and Qin, Feng-Hua and Sun, De-Jun
          Journal of Materials Chemistry A, 2021, ACS Publications
        163. article: Regulating the adsorption behavior of intermediates on Ir-W@ Ir-WO3-x boosts acidic water oxidation electrocatalysis
          Lu, Zheng and Wei, Cong and Liu, Xinmiao and Fang, Yanyan and Hao, Xiaobin and Zang, Yipeng and Pei, Zhibin and Cai, Jinyan and Wu, Yishang and Niu, Di and others
          Journal of Materials Chemistry A, 2021, Royal Society of Chemistry
        164. article: Convective amplification of stimulated Raman rescattering in a picosecond laser plasma interaction regime
          Ji, Yu and Lian, Chang-Wang and Yan, Rui and Ren, Chuang and Yang, Dong and Wan, Zhen-Hua and Zhao, Bin and Wang, Chen and Fang, Zhi-Heng and Zheng, Jian
          Journal of Materials Chemistry A, 2021, 6, 015901, 1, China Academy of Engineering Physics
        165. article: Geometrical and electronic properties of the plane-like selfassembled structured (In12N12) n (n= 1--9) nanomaterials based on In12N12 cages connecting with four-membered rings
          Zhao, Run-Ning and Chen, Rui and Han, Ju-Guang
          Journal of Materials Chemistry A, 2021, 318, 111041, Elsevier
        166. article: Mechanistic study on the photo carboxylation of benzylic CH bonds by xanthone and Ni (0) catalysts
          Xu, Zheyuan and Liu, Deguang and Yu, Haizhu and Ahlquist, Maarten SG and Fu, Yao
          Journal of Materials Chemistry A, 2021, 514, 111785, Elsevier
        167. article: Gas-phase formation of cationic fullerene/9-aminoanthracene clusters: an indicator for interstellar dust growth
          Hu, Xiaoyi and Zhang, Deping and Zhang, Congcong and Yang, Yuanyuan and Chen, Yang and Zhen, Junfeng and Qin, Liping
          Journal of Materials Chemistry A, 2021, 508, 4758--4766, 4, Oxford University Press
        168. article: Gas-phase laboratory study on PAH/amino-acid cluster cations
          Yang, Yuanyuan and Zhang, Congcong and Hu, Xiaoyi and Zhang, Deping and Chen, Yang and Zhen, Junfeng and Qin, Liping
          Journal of Materials Chemistry A, 2021, 508, 3009--3022, 2, Oxford University Press
        169. article: Prediction of crystal structures and motifs in the Fe--Mg--O system at Earth’s core pressures
          Wang, Renhai and Sun, Yang and Wentzcovitch, Renata M and Zheng, Feng and Fang, Yimei and Wu, Shunqing and Lin, Zijing and Wang, Cai-Zhuang and Ho, Kai-Ming
          Journal of Materials Chemistry A, 2021, 23, 063050, 6, IOP Publishing
        170. article: Influence of circulating energetic ions on MHD instabilities in negative magnetic shear plasma
          Gao, Baofeng and Cai, Huishan and Gao, Xiang and Wan, Yuanxi
          Journal of Materials Chemistry A, 2021, 61, 116070, 11, IOP Publishing
        171. article: MHD simulations of cold bubble formation from 2/1 tearing mode during massive gas injection in a tokamak
          Zeng, Shiyong and Zhu, Ping and Izzo, Valerie A and Li, Haolong and Jiang, Zhonghe
          Journal of Materials Chemistry A, 2021, IOP Publishing
        172. article: Cu (I)-Catalyzed Synthesis of [60] Fullerene-Fused Lactams and Further Electrochemical Functionalization
          Liu, Zhan and Yin, Zheng-Chun and Lu, Wen-Qiang and Niu, Chuang and Chen, Muqing and Yang, Shangfeng and Wang, Guan-Wu
          Journal of Materials Chemistry A, 2021, ACS Publications
        173. article: Palladium (II)-Catalyzed Dehydrogenative Strategy for Direct and Regioselective Oligomerization of BODIPY Dyes
          Kang, Zhengxin and Lv, Fan and Wu, Qinghua and Li, Heng and Li, Zhongxin and Wu, Feng-xi and Wang, Zhaoyun and Jiao, Lijuan and Hao, Erhong
          Journal of Materials Chemistry A, 2021, 23, 7986--7991, 20, ACS Publications
        174. article: Doping-controllable high temperature magnetic semiconductor
          Deng, Xiaohui and Dai, Jiayu and Li, Zhenyu
          Journal of Materials Chemistry A, 2021, 131, 114731, Elsevier
        175. article: Accelerating atomistic simulations with piecewise machine-learned ab Initio potentials at a classical force field-like cost
          Zhang, Yaolong and Hu, Ce and Jiang, Bin
          Journal of Materials Chemistry A, 2021, 23, 1815--1821, 3, Royal Society of Chemistry
        176. article: Black phosphorene/blue phosphorene van der Waals heterostructure: a potential anode material for lithium-ion batteries
          Muhammad, Nisar and Muzaffar, MU and Ding, ZJ
          Journal of Materials Chemistry A, 2021, 23, 17392--17401, 32, Royal Society of Chemistry
        177. article: Ensemble machine learning methods: predicting electron stopping powers from a small experimental database
          Yang, LH and Da, B and Ding, ZJ and others
          Journal of Materials Chemistry A, 2021, 23, 6062--6074, 10, Royal Society of Chemistry
        178. article: Formation and topological structure of three-dimensional disordered graphene networks
          Wang, YongChao and Zhu, YinBo and Wu, HengAn
          Journal of Materials Chemistry A, 2021, 23, 10290--10302, 17, Royal Society of Chemistry
        179. article: Gas phase formation of carbon cluster (fullerenes and graphenes)/prebiotic sugar complexes
          Zhang, Deping and Yang, Yuanyuan and Hu, Xiaoyi and Zhen, Junfeng
          Journal of Materials Chemistry A, 2021, 23, 1424--1436, 2, Royal Society of Chemistry
        180. article: Identifying a Li-rich superionic conductor from charge--discharge structural evolution study: Li 2 MnO 3
          Zhang, Xiaofeng and Zheng, Feng and Wu, Shunqing and Zhu, Zizhong
          Journal of Materials Chemistry A, 2021, 23, 4829--4834, 8, Royal Society of Chemistry
        181. article: Mechanisms of bismuth-activated near-infrared photoluminescence--a first-principles study on the MXCl 3 series
          Chen, Qiaoling and Jing, Weiguo and Yeung, Yau-Yuen and Yin, Min and Duan, Chang-Kui
          Journal of Materials Chemistry A, 2021, 23, 17420--17429, 32, Royal Society of Chemistry
        182. article: Mobility and Solvation Structure of Hydroxyl Radical in a Water Nanodroplet: A Born-Oppenheimer Molecular Dynamics Study
          Hadizadeh, Mohammad and Yang, Lewen and Fang, Guoyong and Qiu, Zongyang and Li, Zhenyu
          Journal of Materials Chemistry A, 2021, Royal Society of Chemistry
        183. article: Optical properties of amorphous carbon determined by reflection electron energy loss spectroscopy spectra
          Yang, LH and Gong, JM and Sulyok, A and Menyh'ard, M and S'afr'an, G and THok'esi, K and Da, B and Ding, ZJ
          Journal of Materials Chemistry A, 2021, 23, 25335--25346, 44, Royal Society of Chemistry
        184. article: Pressure Effects on the Thermal Decomposition of LLM-105 Crystal
          Wang, Junke and Gao, Chan and Xu, Zilong and Zhong, Cheng and Dai, Rucheng and Wang, Zhongping and Li, Hongzhen and Zhang, Zengming
          Journal of Materials Chemistry A, 2021, Royal Society of Chemistry
        185. article: The dependence of the boson peak on the thickness of Cu 50 Zr 50 film metallic glasses
          Li, Dongdong and Chen, Heng and Qu, Bingyan and Zhang, Fabao and Zhou, Rulong and Zhang, Bo
          Journal of Materials Chemistry A, 2021, 23, 982--989, 2, Royal Society of Chemistry
        186. article: Towards bridging the structure gap in heterogeneous catalysis: the impact of defects in dissociative chemisorption of methane on Ir surfaces
          Zhou, Xueyao and Zhang, Yaolong and Guo, Hua and Jiang, Bin
          Journal of Materials Chemistry A, 2021, 23, 4376--4385, 7, Royal Society of Chemistry
        187. article: Anderson localization induced by spin-flip disorder in large-Chern-number quantum anomalous Hall effect
          Yang, Hui and Zeng, Junjie and Han, Yulei and Qiao, Zhenhua
          Journal of Materials Chemistry A, 2021, 104, 115414, 11, APS
        188. article: Anomalous thermal properties and spin crossover of ferromagnesite (Mg, Fe) CO 3
          Hsu, Han and Crisostomo, Christian P and Wang, Wenzhong and Wu, Zhongqing
          Journal of Materials Chemistry A, 2021, 103, 054401, 5, APS
        189. article: Doping dependence of electronic structure of infinite-layer NdNiO 2
          Liu, Zhao and Xu, Chenchao and Cao, Chao and Zhu, W and Wang, ZF and Yang, Jinlong
          Journal of Materials Chemistry A, 2021, 103, 045103, 4, APS
        190. article: Effect of quantum resonances on local temperature in nonequilibrium open systems
          Zeng, Xiangzhong and Ye, Lyuzhou and Zhang, Daochi and Xu, Rui-Xue and Zheng, Xiao and Di Ventra, Massimiliano
          Journal of Materials Chemistry A, 2021, 103, 085411, 8, APS
        191. article: First-principles study of Bi 3+-related luminescence and traps in the perovskites Ca M O 3 (M= Zr, Sn, Ti)
          Lou, Bibo and Wen, Jun and Cai, Jiajia and Yeung, Yau-Yuen and Yin, Min and Duan, Chang-Kui
          Journal of Materials Chemistry A, 2021, 103, 075109, 7, APS
        192. article: Insights into superconductivity of LaO from experiments and first-principles calculations
          Gan, H and Zhang, C and Du, XZ and Jiang, P and Niu, CP and Zheng, XH and Yin, YW and Li, XG
          Journal of Materials Chemistry A, 2021, 104, 054515, 5, APS
        193. article: Large-gap quantum anomalous Hall effect in monolayer halide perovskite
          Li, Zeyu and Han, Yulei and Qiao, Zhenhua
          Journal of Materials Chemistry A, 2021, 104, 205401, 20, APS
        194. article: Magnetic ground state and electron-doping tuning of Curie temperature in Fe 3 GeTe 2: First-principles studies
          Shen, Zhen-Xiong and Bo, Xiangyan and Cao, Kun and Wan, Xiangang and He, Lixin
          Journal of Materials Chemistry A, 2021, 103, 085102, 8, APS
        195. article: Strategy for constructing compact numerical atomic orbital basis sets by incorporating the gradients of reference wavefunctions
          Lin, Peize and Ren, Xinguo and He, Lixin
          Journal of Materials Chemistry A, 2021, 103, 235131, 23, APS
        196. article: Van der Waals heterostructure Pt 2 HgSe 3/CrI 3 for topological valleytronics
          Liu, Zheng and Han, Yulei and Ren, Yafei and Niu, Qian and Qiao, Zhenhua
          Journal of Materials Chemistry A, 2021, 104, L121403, 12, APS
        197. article: Cross section measurement of e+ e-→ $pi$+ $pi$- $psi$ (3686) from s= 4.0076 GeV to 4.6984 GeV
          Ablikim, M and Achasov, MN and Adlarson, P and Ahmed, S and Albrecht, M and Aliberti, R and Amoroso, A and An, MR and An, Q and Bai, XH and others
          Journal of Materials Chemistry A, 2021, 104, 052012, 5, APS
        198. article: Cross section measurement of e+ e-→ K S 0 K L 0 at s= 2.00- 3.08 GeV
          Ablikim, M and Achasov, MN and Adlarson, P and Ahmed, S and Albrecht, M and Amoroso, A and An, Q and Bai, XH and Bai, Y and Bakina, O and others
          Journal of Materials Chemistry A, 2021, 104, 092014, 9, APS
        199. article: Measurement of cross section for e+ e-→ $Xi$- $Xi$=+ near threshold at BESIII
          Ablikim, M and Achasov, MN and Adlarson, P and Ahmed, S and Albrecht, M and Aliberti, R and Amoroso, A and An, Q and Bai, XH and Bai, Y and others
          Journal of Materials Chemistry A, 2021, 103, 012005, 1, APS
        200. article: Study of the process e+ e-→ $phi$ $eta$ at center-of-mass energies between 2.00 and 3.08 GeV
          Ablikim, M and Achasov, MN and Adlarson, P and Ahmed, S and Albrecht, M and Aliberti, R and Amoroso, A and An, MR and An, Q and Bai, XH and others
          Journal of Materials Chemistry A, 2021, 104, 032007, 3, APS
        201. article: Cross section measurement of e (+) e (-)->(KSKL0)-K-0 at root s= 2.00-3.08 GeV
          Ablikim, M and Adlarson, Patrik and Biernat, Jacek and Ikegami Andersson, Walter and Johansson, Tord and Kupsc, Andrzej and Pettersson, Joachim and Sch"onning, Karin and Thor'en, Viktor and Wolke, Magnus and others
          Journal of Materials Chemistry A, 2021, 104, 9, American Physical Society (APS)
        202. article: Percolation effects in the Fortuin-Kasteleyn Ising model on the complete graph
          Fang, Sheng and Zhou, Zongzheng and Deng, Youjin
          Journal of Materials Chemistry A, 2021, 103, 012102, 1, APS
        203. article: Machine learning approach for the prediction of electron inelastic mean free paths
          Liu, Xun and Yang, Lihao and Hou, Zhufeng and Da, Bo and Nagata, Kenji and Yoshikawa, Hideki and Tanuma, Shigeo and Sun, Yang and Ding, Zejun
          Journal of Materials Chemistry A, 2021, 5, 033802, 3, APS
        204. article: Measurements of $Sigma$+ and $Sigma$- time-like electromagnetic form factors for center-of-mass energies from 2.3864 to 3.0200 GeV
          Ablikim, M and Achasov, MN and Adlarson, P and Ahmed, S and Albrecht, M and Amoroso, A and An, Q and Bai, Y and Bakina, O and Ferroli, R Baldini and others
          Journal of Materials Chemistry A, 2021, 814, 136110, Elsevier
        205. article: Observation of a resonant structure in e+ e-→ $omega$$eta$ and another in e+ e-→ $omega$$pi$0 at center-of-mass energies between 2.00 and 3.08 GeV
          Ablikim, M and Achasov, MN and Adlarson, P and Ahmed, S and Albrecht, M and Amoroso, A and An, Q and Bai, Y and Bakina, O and Ferroli, R Baldini and others
          Journal of Materials Chemistry A, 2021, 813, 136059, Elsevier
        206. article: Direct numerical simulation analysis of heat transfer deterioration of supercritical fluids in a vertical tube at a high ratio of heat flux to mass flowrate
          Zhao, Pinghui and Wan, Teng and Jin, Yixuan and Chen, Zhansheng and Li, Yuanjie and Peng, Changhong
          Journal of Materials Chemistry A, 2021, 33, 055114, 5, AIP Publishing LLC
        207. article: Single-and dual-mode Rayleigh--Taylor instability at microscopic scale
          Ding, Juchun and Sun, Pengyue and Huang, Shenghong and Luo, Xisheng
          Journal of Materials Chemistry A, 2021, 33, 042102, 4, AIP Publishing LLC
        208. article: The influence of nonlinearities on jet noise modeling based on parabolized stability equation
          Zhang, Peng-Jun-Yi and Wan, Zhen-Hua and Sun, De-Jun
          Journal of Materials Chemistry A, 2021, 33, 086107, 8, AIP Publishing LLC
        209. article: Numerical study of premixed flame dynamics in a closed tube: Effect of wall boundary condition
          Li, Xiaoxi and Xiao, Huahua and Duan, Qiangling and Sun, Jinhua
          Journal of Materials Chemistry A, 2021, 38, 2075--2082, 2, Elsevier
        210. article: Full-Wave Modeling and Inversion of UWB Radar Data for Wave Propagation in Cylindrical Objects
          Gao, Lan and Dachena, Chiara and Wu, Kaijun and Fedeli, Alessandro and Pastorino, Matteo and Randazzo, Andrea and Wu, Xiaoping and Lambot, S'ebastien
          Journal of Materials Chemistry A, 2021, 13, 2370, 12, Multidisciplinary Digital Publishing Institute
        211. article: A long-range forecasting model for the thermosphere based on the intelligent optimized particle filtering
          Ren, Dexin and Lei, Jiuhou
          Journal of Materials Chemistry A, 2021, 1--12, Springer
        212. article: Individual separation of surface, bulk and Begrenzungs effect components in the surface electron energy spectra
          Yang, Lihao and Da, Bo and THok'esi, K'aroly and Ding, ZJ
          Journal of Materials Chemistry A, 2021, 11, 1--9, 1, Nature Publishing Group
        213. article: High-Voltage and Super-Stable Aqueous Sodium--Zinc Hybrid Ion Batteries Enabled by Double Solvation Structures in Concentrated Electrolyte
          Ao, Huaisheng and Zhu, Weiduo and Liu, Mengke and Zhang, Wanqun and Hou, Zhiguo and Wu, Xiaojun and Zhu, Yongchun and Qian, Yitai
          Journal of Materials Chemistry A, 2021, 2100418, Wiley Online Library
        214. article: Regulating the electron filling state of d orbitals in Ta-based compounds for tunable lithium-sulfur chemistry
          Sun, Da and Zhou, Jianbin and Rao, Dewei and Zhu, Linqin and Niu, Shuwen and Cai, Jinyan and Fang, Yanyan and Liu, Yun and Liu, Xinmiao and Zang, Yipeng and others
          Journal of Materials Chemistry A, 2021, 28, e00271, Elsevier
        215. article: Highly water-stable Cd-MOF/Tb3+ ultrathin fluorescence nanosheets for ultrasensitive and selective detection of Cefixime
          Qin, Guoxu and Wang, Jing and Li, Lei and Yuan, Feifei and Zha, Qingqing and Bai, Wenbo and Ni, Yonghong
          Journal of Materials Chemistry A, 2021, 221, 121421, Elsevier
        216. article: Feasibility study of measuring b→ s$gamma$ photon polarisation in D0→ K1 (1270)-e+ $ u$e at STCF
          Yu-Lan, Fan and Xiao-Dong, Shi and Xiao-Rong, Zhou and Sun, Liang
          Journal of Materials Chemistry A, 2021, 81, 12, Springer Nature BV
        217. article: Anomalously low friction of confined monolayer water with a quadrilateral structure
          Li, JinChuan and Zhu, YinBo and Xia, Jun and Fan, JingCun and Wu, HengAn and Wang, FengChao
          Journal of Materials Chemistry A, 2021, 154, 224508, 22, AIP Publishing LLC
        218. article: Combined experimental and theoretical study on photoionization cross sections of benzonitrile and o/m/p-cyanotoluene
          Huang, Jiabin and Huang, Can and Wu, Xiaoqing and Hou, Qifeng and Tian, Guangjun and Yang, Jiuzhong and Zhang, Feng
          Journal of Materials Chemistry A, 2021, 154, 244301, 24, AIP Publishing LLC
        219. article: First-principles study of benzo [a] pyrene-7, 8-dione and DNA adducts
          Liu, Yue and Ren, Xinguo and He, Lixin
          Journal of Materials Chemistry A, 2021, 154, 175102, 17, AIP Publishing LLC
        220. article: Two-level iterative solver for linear response time-dependent density functional theory with plane wave basis set
          Liu, Jie and Hu, Wei and Yang, Jinlong
          Journal of Materials Chemistry A, 2021, 154, 064101, 6, AIP Publishing LLC
        221. article: Synthesis, Reactivity, and Properties of a Class of $pi$-Extended BODIPY Derivatives
          Li, Wanwan and Gong, Qingbao and Guo, Xing and Wu, Qinghua and Chang, Fei and Wang, Hua and Zhang, Fan and Hao, Erhong and Jiao, Lijuan
          Journal of Materials Chemistry A, 2021, 86, 17110--17118, 23, ACS Publications
        222. article: Bimetallic Cu/Rh Catalyst for Preferential Oxidation of CO in H2: a DFT Study
          Zhu, Chuwei and Gu, Xiang-Kui and Li, Wei-Xue
          Journal of Materials Chemistry A, 2021, 125, 19697--19705, 36, ACS Publications
        223. article: Controlled Morphological Transformation, Photocatalytic Properties, and Electrocatalytic OER Performance of Fe-MOF Nanopolyhedra
          Li, Yao and Song, Le Xin and Wang, Wei Ping and Teng, Yue and Xia, Juan and Liu, Nan Ning
          Journal of Materials Chemistry A, 2021, ACS Publications
        224. article: Direct Current Electricity Generation from Dynamic Polarized Water--Semiconductor Interface
          Yan, Yanfei and Zhou, Xu and Feng, Sirui and Lu, Yanghua and Qian, Jianhao and Zhang, Panpan and Yu, Xutao and Zheng, Yujie and Wang, Fengchao and Liu, Kaihui and others
          Journal of Materials Chemistry A, 2021, 125, 14180--14187, 26, ACS Publications
        225. article: Efficient Direct Band Gap Photovoltaic Material Predicted Via Doping Double Perovskites Cs2AgBiX6 (X= Cl, Br)
          Ma, Xinbo and Li, Zhenyu and Yang, Jinlong
          Journal of Materials Chemistry A, 2021, ACS Publications
        226. article: Enhanced Activation of CO2 on h-BN Nanosheets via Forming a Donor--Acceptor Heterostructure with 2D M2X Electrenes
          Chen, Minglong and Zhuo, Zhiwen and Lv, Haifeng and Wu, Xiaojun
          Journal of Materials Chemistry A, 2021, 125, 18762--18769, 34, ACS Publications
        227. article: Hydrogenated Oxide as Novel Quasi-metallic Cocatalyst for Efficient Visible-Light Driven Photocatalytic Water Splitting
          Chen, Xiaolu and Ye, Ke and Jin, Shunru and Li, Xiyu and Zhang, Guozhen and Li, Xin and Jiang, Shenlong and Zhang, Qun and Zhu, Qing and Jiang, Jun
          Journal of Materials Chemistry A, 2021, ACS Publications
        228. article: Ignition and Combustion of Hydrocarbon Fuels Enhanced by Aluminum Nanoparticle Additives: Insights from Reactive Molecular Dynamics Simulations
          Wu, Bao and Wu, FengChao and Wang, Pei and He, AnMin and Wu, HengAn
          Journal of Materials Chemistry A, 2021, ACS Publications
        229. article: In Situ Investigation on Doping Effect in Co-Doped Tungsten Diselenide Nanosheets for Hydrogen Evolution Reaction
          Zhang, Wei and Liu, Xiaokang and Liu, Tong and Chen, Tao and Shen, Xinyi and Ding, Tao and Cao, Linlin and Wang, Lan and Luo, Qiquan and Yao, Tao
          Journal of Materials Chemistry A, 2021, 125, 6229--6236, 11, ACS Publications
        230. article: Intrinsic Descriptors for Coordination Environment and Synergistic Effects of Metal and Environment in Single-Atom-Catalyzed Carbon Dioxide Electroreduction
          Yuan, Hao and Li, Zhenyu
          Journal of Materials Chemistry A, 2021, 125, 18180--18186, 33, ACS Publications
        231. article: K-Edge XANES Investigation of Fe-Based Oxides by Density Functional Theory Calculations
          Zhu, Jing and Zeng, Zhenhua and Li, Wei-Xue
          Journal of Materials Chemistry A, 2021, ACS Publications
        232. article: Multiple-Valence and Visible to Near-Infrared Photoluminescence of Manganese in ZnGa2O4: A First-Principles Study
          Chen, Qiaoling and Shang, Longbing and Xu, Haoming and Ma, Chonggeng and Duan, Chang-Kui
          Journal of Materials Chemistry A, 2021, 125, 21780--21790, 39, ACS Publications
        233. article: N-Doped Graphene-Supported Diatomic Ni--Fe Catalyst for Synergistic Oxidation of CO
          Wang, Qian and Jin, Benjin and Hu, Min and Jia, Chuanyi and Li, Xin and Sharman, Edward and Jiang, Jun
          Journal of Materials Chemistry A, 2021, 125, 5616--5622, 10, ACS Publications
        234. article: Rationalizing the Photoluminescence of Bi3+ and Sb3+ in Double Perovskite Halide Crystals
          Liu, Mingzhe and Duan, Chang-Kui and Tanner, Peter A and Ma, Chong-Geng and Yin, Min
          Journal of Materials Chemistry A, 2021, ACS Publications
        235. article: Reaction on a rink: Kondo-enhanced heterogeneous single-atom catalysis
          Li, Xiangyang and Gong, Hong and Zhuang, Qingfeng and Wang, Bing and Zheng, Xiao and Yang, Jinlong
          Journal of Materials Chemistry A, 2021, 125, 21488--21495, 39, ACS Publications
        236. article: Theoretical Perspective of Atomic Resolution Secondary Electron Imaging
          Cheng, Long and Yang, Lihao and Zeng, Rongguang and Ming, Yi and Da, Bo and Ding, Zejun
          Journal of Materials Chemistry A, 2021, ACS Publications
        237. article: Understanding the Sub-meV Precision-Tuning of Magnetic Anisotropy of Single-Molecule Junction
          Uzma, Faiza and Yang, Longqing and He, Dawei and Wang, Xiaoli and Hu, Shaojin and Ye, Lyuzhou and Zheng, Xiao and Yan, YiJing
          Journal of Materials Chemistry A, 2021, 125, 6990--6997, 12, ACS Publications
        238. article: Vibrational State-to-State Scattering of Water from Cu (111): Comparison of Quantum and Quasiclassical Methods with Normal Mode and Adiabatic Switching Sampling
          Zhang, Liang and Chen, Jialu and Jiang, Bin
          Journal of Materials Chemistry A, 2021, 125, 4995--5005, 9, ACS Publications
        239. article: VUV--UV--vis Luminescence, Energy Transfer Dynamics, and Potential Applications of Ce3+-and Eu2+-Doped CaMgSi2O6
          Su, Fang and Lou, Bibo and Ou, Yiyi and Yang, Yunlin and Zhou, Weijie and Duan, Chang-Kui and Liang, Hongbin
          Journal of Materials Chemistry A, 2021, 125, 5957--5967, 10, ACS Publications
        240. article: Boosting Hydrazine Oxidation Reaction on CoP/Co Mott--Schottky Electrocatalyst through Engineering Active Sites
          Chen, Shi and Wang, Changlai and Liu, Shuai and Huang, Minxue and Lu, Jian and Xu, Pengping and Tong, Huigang and Hu, Lin and Chen, Qianwang
          Journal of Materials Chemistry A, 2021, 12, 4849--4856, ACS Publications
        241. article: Bridged Azobenzene Enables Dynamic Control of Through-Space Charge Transfer for Photochemical Conversion
          Zhou, Huiting and He, Fuxiang and Chong, Yuanyuan and He, Lixin and Jiang, Jun and Luo, Yi and Zhang, Guozhen
          Journal of Materials Chemistry A, 2021, 12, 3868--3874, 16, ACS Publications
        242. article: Cooperative Single-Atom Active Centers for Attenuating the Linear Scaling Effect in the Nitrogen Reduction Reaction
          Ye, Ke and Hu, Min and Li, Qin-Kun and Luo, Yi and Jiang, Jun and Zhang, Guozhen
          Journal of Materials Chemistry A, 2021, 12, 5233--5240, ACS Publications
        243. article: Designing Direct Z-Scheme Heterojunctions Enabled by Edge-Modified Phosphorene Nanoribbons for Photocatalytic Overall Water Splitting
          Gao, Yunzhi and Fu, Cenfeng and Hu, Wei and Yang, Jinlong
          Journal of Materials Chemistry A, 2021, 13, 1--11, ACS Publications
        244. article: Dynamics of photoexcited small polarons in transition-metal oxides
          Zhang, Lili and Chu, Weibin and Zhao, Chuanyu and Zheng, Qijing and Prezhdo, Oleg V and Zhao, Jin
          Journal of Materials Chemistry A, 2021, 12, 2191--2198, 9, ACS Publications
        245. article: Equation-of-Motion Theory to Calculate Accurate Band Structures with a Quantum Computer
          Fan, Yi and Liu, Jie and Li, Zhenyu and Yang, Jinlong
          Journal of Materials Chemistry A, 2021, 12, 8833--8840, 36, ACS Publications
        246. article: Facile Removal of Bulk Oxygen Vacancy Defects in Metal Oxides Driven by Hydrogen-Dopant Evaporation
          Hu, Min and Zhu, Qing and Zhao, Yuan and Zhang, Guozhen and Zou, Chongwen and Prezhdo, Oleg and Jiang, Jun
          Journal of Materials Chemistry A, 2021, 12, 9579--9583, 39, ACS Publications
        247. article: Formation of Substituted Alkyls as Precursors of Peroxy Radicals with a Rapid H-Shift in the Atmosphere
          Wu, Xiaoqing and Huang, Can and Chai, Jiajue and Zhang, Feng
          Journal of Materials Chemistry A, 2021, 12, 8790--8797, 36, ACS Publications
        248. article: High Curie Temperature and Intrinsic Ferromagnetic Half-Metallicity in Mn2X3 (X= S, Se, Te) Nanosheets
          Yu, Cuiju and Li, Xiangyang and Li, Xingxing and Yang, Jinlong
          Journal of Materials Chemistry A, 2021, 12, 11790--11794, ACS Publications
        249. article: Infrared Activities of Adsorbed Species on Metal Surfaces: The Puzzle of Adsorbed Methyl (CH3)
          Zhou, Xueyao and Vejayan, Harmina and Beck, Rainer D and Guo, Hua and Jiang, Bin
          Journal of Materials Chemistry A, 2021, 12, 11164--11169, ACS Publications
        250. article: Orbital Design of Two-Dimensional Transition-Metal Peroxide Kagome Crystals with Anionogenic Dirac Half-Metallicity
          Wu, Daoxiong and Lv, Haifeng and Zhuo, Zhiwen and Li, Xingxing and Wu, Xiaojun and Yang, Jinlong
          Journal of Materials Chemistry A, 2021, 12, 3528--3534, 14, ACS Publications
        251. article: Phosphorescence Enables Identification of Electronic State for Acridinium Salt in Solutions
          Zhang, Xiaolong and Du, Jiajun and Liao, Fan and Su, Hao and Zhang, Xuepeng and Miao, Hui and Zhang, Guoqing
          Journal of Materials Chemistry A, 2021, 12, 12242--12248, ACS Publications
        252. article: Raman Detection of Bond Breaking and Making of a Chemisorbed Up-Standing Single Molecule at Single-Bond Level
          Wang, Rui-Pu and Yang, Ben and Fu, Qiang and Zhang, Yao and Zhu, Rui and Dong, Xiao-Ru and Zhang, Yang and Wang, Bing and Yang, Jin-Long and Luo, Yi and others
          Journal of Materials Chemistry A, 2021, 12, 1961--1968, 7, ACS Publications
        253. article: Regulating Electronic Spin Moments of Single-Atom Catalyst Sites via Single-Atom Promoter Tuning on S-Vacancy MoS2 for Efficient Nitrogen Fixation
          Dang, Qian and Tang, Shaobin and Liu, Tianyong and Li, Xiaokang and Wang, Xijun and Zhong, Wenhui and Luo, Yi and Jiang, Jun
          Journal of Materials Chemistry A, 2021, 12, 8355--8362, 34, ACS Publications
        254. article: Regulating the Coordination Environment of Ruthenium Cluster Catalysts for the Alkaline Hydrogen Evolution Reaction
          Liu, Tong and Zhang, Wei and Chen, Tao and Liu, Dong and Cao, Linlin and Ding, Tao and Liu, Xiaokang and Pang, Beibei and Wang, Sicong and Wang, Lan and others
          Journal of Materials Chemistry A, 2021, 12, 8016--8023, 33, ACS Publications
        255. article: Spatial Confinement of a Carbon Nanocone for an Efficient Oxygen Evolution Reaction
          Wu, Fan and Zhan, Shaoqi and Yang, Li and Zhuo, Zhiwen and Wang, Xijun and Li, Xiyu and Luo, Yi and Jiang, Jun
          Journal of Materials Chemistry A, 2021, 12, 2252--2258, 9, ACS Publications
        256. article: Spin--Orbit Coupling in 2D Semiconductors: A Theoretical Perspective
          Chen, Jiajia and Wu, Kai and Hu, Wei and Yang, Jinlong
          Journal of Materials Chemistry A, 2021, 12, 12256--12268, ACS Publications
        257. article: Strong Modulation of Band Gap, Carrier Mobility and Lifetime in Two-Dimensional Black Phosphorene through Acoustic Phonon Excitation
          Guo, Hongli and Chu, Weibin and Prezhdo, Oleg V and Zheng, Qijing and Zhao, Jin
          Journal of Materials Chemistry A, 2021, 12, 3960--3967, 16, ACS Publications
        258. article: Tunable Rashba Spin Splitting in Two-Dimensional Polar Perovskites
          Chen, Jiajia and Wu, Kai and Hu, Wei and Yang, Jinlong
          Journal of Materials Chemistry A, 2021, 12, 1932--1939, 7, ACS Publications
        259. article: Two-Dimensional Cr2X3S3 (X= Br, I) Janus Semiconductor with Intrinsic Room-Temperature Magnetism
          Wu, Daoxiong and Zhuo, Zhiwen and Lv, Haifeng and Wu, Xiaojun
          Journal of Materials Chemistry A, 2021, 12, 2905--2911, 11, ACS Publications
        260. article: Computational design of photoswitchable anion receptors: Red-shifted and bistable di-ortho-fluoro di-ortho-chloro azobenzene derivatives
          Lv, Shasha and Li, Xiyu and Yang, Li and Ren, Hao and Jiang, Jun
          Journal of Materials Chemistry A, 2021, 548, 111246, Elsevier
        261. article: Choice of force fields and water models for sampling solution conformations of bacteriophage T4 lysozyme
          Du, Xin-zheng and Hua, Xin-fan and Zhang, Zhi-yong
          Journal of Materials Chemistry A, 2021, 34, 487, 4, Chinese Physical SocietyCPS
        262. article: High-performance chemical information database towards accelerating discovery of metal-organic frameworks for gas adsorption with machine learning
          Hao, Zi-kai and Lv, Hai-feng and Wang, Da-yong and Wu, Xiao-jun
          Journal of Materials Chemistry A, 2021, 34, 436, 4, Chinese Physical SocietyCPS
        263. article: Huge tunneling magnetoresistance in magnetic tunnel junction with Heusler alloy Co2MnSi electrodes
          Hu, Yu-jie and Huang, Jing and Wang, Jia-ning and Li, Qun-xiang
          Journal of Materials Chemistry A, 2021, 34, 273--280, 3, Chinese Physical Society
        264. article: Numerical and Experimental Evaluation of Shine-Through Loss and Beam Heating Due to Neutral Beam Injection on EAST
          Wang, Jin-Fang and Li, Ying-Ying and Wu, Bin and Chen, Yu-Qing and Li, Jun and Xu, Yong-Jian and Chen, Long-Xi and Hao, Bao-Long and Zhou, Deng and Huang, Juan and others
          Journal of Materials Chemistry A, 2021, 38, 055203, 5, IOP Publishing
        265. article: Variational Quantum Algorithms for the Steady States of Open Quantum Systems
          Liu, Huan-Yu and Sun, Tai-Ping and Wu, Yu-Chun and Guo, Guo-Ping
          Journal of Materials Chemistry A, 2021, 38, 080301, 8, IOP Publishing
        266. article: Large helium-vacancy clusters coalescence during helium bubble evolution under cascade in iron with edge dislocation: A MD simulation
          Li, Liuliu and Peng, Lei and Shi, Jingyi and Jiang, Wei
          Journal of Materials Chemistry A, 2021, 197, 110601, Elsevier
        267. article: Thermodynamics stability, electronic structures and spectroscopic properties of defects and Ce3+ ions in Y2O3
          Wang, Yan and Wen, Jun and Zheng, Jiangyun and Deng, Zhifeng and Zhou, Yueyu and Jiang, Guisheng and Xia, Qiangsheng and He, Enjie and Ning, Lixin
          Journal of Materials Chemistry A, 2021, 26, 55--63, Elsevier
        268. article: Enhanced Gas Recovery in Kerogen Pyrolytic Pore Network: Molecular Simulations and Theoretical Analysis
          Xu, HengYu and Yu, Hao and Fan, JingCun and Xia, Jun and Wang, FengChao and Wu, HengAn
          Journal of Materials Chemistry A, 2021, 35, 2253--2267, 3, ACS Publications
        269. article: Molecular Orbital Insight into the Near-Threshold Photoionization Cross Sections of Monocyclic Substituted Aromatic Compounds
          Huang, Jiabin and Wu, Xiaoqing and Hou, Qifeng and Wu, Mengqi and Yang, Jiuzhong and Zhang, Feng
          Journal of Materials Chemistry A, 2021, 35, 14051--14062, 17, ACS Publications
        270. article: Single-cell data clustering based on sparse optimization and low-rank matrix factorization
          Hu, Yinlei and Li, Bin and Chen, Falai and Qu, Kun
          Journal of Materials Chemistry A, 2021
        271. article: Single-Cell RNA Sequencing Reveals the Heterogeneity of Infiltrating Immune Cell Profiles in the Hepatic Cystic Echinococcosis Microenvironment
          Yasen, Aimaiti and Sun, Wujianan and Aini, Abudusalamu and Aji, Tuerganaili and Shao, Yingmei and Wang, Hui and Li, Kun and Li, Wending and Zhang, Chuanshan and Ahan, Ayifuhan and others
          Journal of Materials Chemistry A, 2021, 89, e00297--21, 12, Am Soc Microbiol
        272. article: The fractal characteristics of atmospheric coated soot: Implication for morphological analysis
          Luo, Jie and Zhang, Qixing and Zhang, Chenchong and Zhang, Yongming and Chakrabarty, Rajan K
          Journal of Materials Chemistry A, 2021, 157, 105804, Elsevier
        273. article: A reverse transition route from inertial to elasticity-dominated turbulence in viscoelastic Taylor--Couette flow
          Song, Jiaxing and Wan, Zhen-Hua and Liu, Nansheng and Lu, Xi-Yun and Khomami, Bamin
          Journal of Materials Chemistry A, 2021, 927, Cambridge University Press
        274. article: Direct numerical simulation of inertio-elastic turbulent Taylor--Couette flow
          Song, Jiaxing and Lin, Fenghui and Liu, Nansheng and Lu, Xi-Yun and Khomami, Bamin
          Journal of Materials Chemistry A, 2021, 926, Cambridge University Press
        275. article: Radius ratio dependency of the instability of fully compressible convection in rapidly rotating spherical shells
          Wang, Ben and Liu, Shuang and Wan, Zhen-Hua and Sun, De-Jun
          Journal of Materials Chemistry A, 2021, 925, Cambridge University Press
        276. article: From Bow Waves to Traveling Atmospheric Disturbances: Thermospheric Perturbations Along Solar Eclipse Trajectory
          Yan, Maodong and Dang, Tong and Lei, Jiuhou and Wang, Wenbin and Zhang, Shun-Rong and Le, Huijun
          Journal of Materials Chemistry A, 2021, 126, e2020JA028523, 4, Wiley Online Library
        277. article: Numerical considerations in the simulation of equatorial spread F
          Li, Zezhong and Lei, Jiuhou and Zhang, Binzheng
          Journal of Materials Chemistry A, 2021, 126, e2021JA029622, 10, Wiley Online Library
        278. article: Observations and Simulations of the Peak Response Time of Thermospheric Mass Density to the 27-Day Solar EUV Flux Variation
          Ren, Dexin and Lei, Jiuhou and Wang, Wenbin and Burns, Alan and Luan, Xiaoli
          Journal of Materials Chemistry A, 2021, 126, e2020JA028756, 2, Wiley Online Library
        279. article: Heat transfer and plume statistics in turbulent thermal convection with sparse fractal roughness
          Xu, Guang-chun and Wang, Qi and Wan, Zhen-hua and Sun, De-jun
          Journal of Materials Chemistry A, 2021, 33, 1065--1077, 5, Springer
        280. article: A fast simulation package for STCF detector
          Shi, X-D and Zhou, X-R and Qin, X-S and Peng, H-P
          Journal of Materials Chemistry A, 2021, 16, P03029, 3, IOP Publishing
        281. article: A phase-field study of the solidification process coupled with deformation
          Ren, Jian-kun and Chen, Yun and Cao, Yan-fei and Xu, Bin and Sun, Ming-yue and Li, Dian-zhong
          Journal of Materials Chemistry A, 2021, 56, 12455--12474, 21, Springer
        282. article: Metal cyclopropenylidene sandwich cluster and nanowire: structural, electronic, and magnetic properties
          Liu, Ying and Lv, Haifeng and Wu, Xiaojun
          Journal of Materials Chemistry A, 2021, 33, 235301, 23, IOP Publishing
        283. article: Application of Scale Adaptive Simulation Model to Studying Cooling Characteristics of a High Pressure Turbine Blade Cutback Trailing Edge With Different Cooling Configurations
          Li, Yue-feng and Xu, Hua-zhao and Wang, Jian-hua and Song, Wei and Wang, Ming and Liu, Tai-qiu and Wang, Xu
          Journal of Materials Chemistry A, 2021, 143, 081010, 8, American Society of Mechanical Engineers
        284. article: Multiscale simulations of interfacial slip for polymer melts under shear flow
          Yan, Hong Ji and Qin, Feng Hua and Wan, Zhen Hua and Sun, De Jun
          Journal of Materials Chemistry A, 2021, 25, 1--10, 1, Springer
        285. article: Cu2O-Ag Tandem Catalysts for Selective Electrochemical Reduction of CO2 to C2 Products
          Niu, Di and Wei, Cong and Lu, Zheng and Fang, Yanyan and Liu, Bo and Sun, Da and Hao, Xiaobin and Pan, Hongge and Wang, Gongming
          Journal of Materials Chemistry A, 2021, 26, 2175, 8, Multidisciplinary Digital Publishing Institute
        286. article: Atomistic study on helium-to-vacancy ratio of neutron irradiation induced helium bubbles during nucleation and growth in $alpha$-Fe
          Shi, Jingyi and Li, Liuliu and Peng, Lei and Gao, Fei and Huang, Jianjun
          Journal of Materials Chemistry A, 2021, 26, 100940, Elsevier
        287. article: Determination of electron backscattering coefficient of beryllium by a high-precision Monte Carlo simulation
          Hussain, Abrar and Yang, Lihao and Mao, Shifeng and Da, Bo and THok'esi, K'aroly and Ding, ZJ
          Journal of Materials Chemistry A, 2021, 26, 100862, Elsevier
        288. article: First-principles study of persistent luminescence mechanisms in CaB2O4: Ce3+
          Zhou, Shihang and Lou, Bibo and Lou, Liren and Wen, Jun and Yin, Min
          Journal of Materials Chemistry A, 2021, 111, 110647, Elsevier
        289. article: Phase behaviors of counterflowing stream of pedestrians with site-exchange in local vision and environment
          Hao, Qing-Yi and Qian, Jia-Li and Wu, Chao-Yun and Guo, Ning
          Journal of Materials Chemistry A, 2021, 567, 125688, Elsevier
        290. article: Formation of edge pressure pedestal and reversed magnetic shear due to toroidal rotation in a tokamak equilibrium
          Li, Haolong and Zhu, Ping
          Journal of Materials Chemistry A, 2021, 28, 054505, 5, AIP Publishing LLC
        291. article: Influence of trapped energetic ions on low-frequency magnetohydrodynamic instabilities with reversed shear profile
          Gao, Baofeng and Cai, Huishan and Wang, Feng and Gao, Xiang and Wan, Yuanxi
          Journal of Materials Chemistry A, 2021, 28, 012104, 1, AIP Publishing LLC
        292. article: Electron acceleration using twisted laser wavefronts
          Shi, Yin and Blackman, David R and Arefiev, Alexey
          Journal of Materials Chemistry A, 2021, 63, 125032, 12, IOP Publishing
        293. article: Investigation of the double peak in the visible-light range of radiative divertor emission profiles on the EAST tokamak
          Guo, Jin and Lu, Zhiyuan and Jia, Guozhang and Ruan, Xinglei and Xu, Yuchen and Mao, Shifeng and Yang, Jianhua and Wang, Yumin and Meng, Lingyi and Yang, Qingquan and others
          Journal of Materials Chemistry A, 2021, 63, 125006, 12, IOP Publishing
        294. article: Simulation study of the influence on the tungsten concentration due to the cross-field transport in the scrape-off layer
          Xu, Yuchen and Xu, Guoliang and Mao, Shifeng and Ye, Minyou
          Journal of Materials Chemistry A, 2021, 63, 095003, 9, IOP Publishing
        295. article: Signatures of continuous hexatic--liquid transition in two-dimensional melting
          Guo, Jialing and Nie, Yunhuan and Xu, Ning
          Journal of Materials Chemistry A, 2021, 17, 3397--3403, 12, Royal Society of Chemistry
        296. article: A defective MoS 2 monolayer as an efficient electrocatalyst for the nitrogen reduction reaction: a combined theoretical and experimental study
          Ma, Chaoqun and Yan, Xu and He, Hui and Liu, Bingping and Yan, Shihai
          Journal of Materials Chemistry A, 2021, 5, 2415--2418, 9, Royal Society of Chemistry
        297. article: Beryllium and Magnesium Metal Clusters: New Globally Stable Structures and G 0 W 0 Calculations
          Bakhsh, Sunila and Liu, Xiaohui and Wang, Yanyong and He, Lixin and Ren, Xinguo
          Journal of Materials Chemistry A, 2021, 125, 1424--1435, 7, ACS Publications
        298. article: Ion--Molecule Charge Exchange Reactions between Ar+ and trans-/cis-Dichloroethylene
          Zhi, Yaya and Hu, Jie and Xie, Jing-Chen and Tian, Shan Xi
          Journal of Materials Chemistry A, 2021, 125, 2573--2580, 12, ACS Publications
        299. article: Modulating Charge Separation and Intersystem Crossing in Donor--Switch--Acceptor Systems: A Computational Study
          Chong, Yuanyuan and Zhang, Xiaolong and Chen, Biao and Liu, Ran and Wu, Ziye and Zhang, Guoqing and Jiang, Jun and Mukamel, Shaul and Zhang, Guozhen
          Journal of Materials Chemistry A, 2021, 125, 3088--3094, 15, ACS Publications
        300. article: Reaction between a NO2 Dimer and Dissolved SO2: A New Mechanism for ONSO3--Formation and its Fate in Aerosol
          Tang, Bo and Li, Zhenyu
          Journal of Materials Chemistry A, 2021, 125, 8468--8475, 38, ACS Publications
        301. article: Realizing effective cubic-scaling Coulomb hole plus screened exchange approximation in periodic systems via interpolative separable density fitting with a plane-wave basis set
          Ma, Huanhuan and Wang, Lei and Wan, Lingyun and Li, Jielan and Qin, Xinming and Liu, Jie and Hu, Wei and Lin, Lin and Yang, Chao and Yang, Jinlong
          Journal of Materials Chemistry A, 2021, 125, 7545--7557, 34, ACS Publications
        302. article: A Machine-Learning Protocol for Ultraviolet Protein-Backbone Absorption Spectroscopy under Environmental Fluctuations
          Zhang, Jinxiao and Ye, Sheng and Zhong, Kai and Zhang, Yaolong and Chong, Yuanyuan and Zhao, Luyuan and Zhou, Huiting and Guo, Sibei and Zhang, Guozhen and Jiang, Bin and others
          Journal of Materials Chemistry A, 2021, ACS Publications
        303. article: Genetic Algorithm Embedded with a Search Space Dimension Reduction Scheme for Efficient Peptide Structure Predictions
          Ru, Xiao and Lin, Zijing
          Journal of Materials Chemistry A, 2021, 125, 3824--3829, 15, ACS Publications
        304. article: A multi-functional spintronic device based on 1, 4, 5, 8-naphthalenetetracarboxylic diimide
          Ma, Weili and Wang, Wenjing and Huang, Yucheng and Zhou, Tao and Wang, Sufan
          Journal of Materials Chemistry A, 2021, 1198, 113170, Elsevier
        305. article: Porous Characteristics of Three-Dimensional Disordered Graphene Networks
          Wang, YongChao and Zhu, YinBo and Wu, HengAn
          Journal of Materials Chemistry A, 2021, 11, 127, 2, Multidisciplinary Digital Publishing Institute
        306. article: Simulation study of effects of grain boundary and helium bubble on lattice thermal resistance of tungsten
          Ding, Yingmei and Wu, Xuebang and Zhan, Jie and Chen, Ze and Mao, Shifeng and Ye, Minyou
          Journal of Materials Chemistry A, 2021, 168, 112682, Elsevier
        307. article: Study of the linear mercury diffusion pump with the fixed mass-flow-rate model by direct simulation Monte Carlo method
          Liao, Zeyu and Mao, Shifeng and Zhao, Changlian and Ye, Minyou
          Journal of Materials Chemistry A, 2021, 173, 112796, Elsevier
        308. article: Tomographic reconstruction of emissive profile in the divertor region for the visible light imaging diagnostic on Experimental Advanced Superconducting Tokamak
          Lu, Zhiyuan and Mao, Shifeng and Yang, Jianhua and Ming, Tingfeng and Xiang, Junguang and Xu, Guosheng and Ye, Minyou
          Journal of Materials Chemistry A, 2021, 163, 112149, Elsevier
        309. article: Multiscale Simulations of Polymer Flow Between Two Parallel Plates
          Yan, Hong-Ji and Wan, Zhen-Hua and Qin, Feng-Hua and Sun, De-Jun
          Journal of Materials Chemistry A, 2021, 143, 041208, 4, American Society of Mechanical Engineers
        310. article: A density functional theory computational investigation on geometries and electronic properties of the inner hollow (GaP) n (n= 1--38) nanomaterials
          Zhao, Run-Ning and Chen, Rui and Lin, Fan and Han, CunShan
          Journal of Materials Chemistry A, 2021, 23, 1--10, 12, Springer
        311. article: Imaging simulation of charged nanowires in TEM with large defocus distance
          Shi, Te and Liu, Shikai and Tian, H and Ding, ZJ
          Journal of Materials Chemistry A, 2021
        312. article: Effects of helium massive gas injection level on disruption mitigation on EAST
          Zafar, Abdullah and Ping, ZHU and Ahmad, ALI and Shiyong, ZENG and Haolong, LI
          Journal of Materials Chemistry A, 2021, 23, 075103, 7, IOP Publishing
        313. article: Transition from fishbone mode to $eta$-induced Alfv'en eigenmode on HL-2A tokamak
          Zou, Zhihui and Zhu, Ping and Kim, Charlson and Wang, Xianqu and Hou, Yawei
          Journal of Materials Chemistry A, 2021, IOP Publishing
        314. article: Viscous effects on plasmoid formation from nonlinear resistive tearing growth in a Harris sheet
          Ahmad, Nisar and Zhu, Ping and Ali, Ahmad and Zeng, Shiyong
          Journal of Materials Chemistry A, 2021, IOP Publishing
        315. article: Hybrid functional calculations of optoelectronic properties of ultra-wide bandgap LiSmO2: A first-principle study
          Shah, Syed Sarmad Ali and Muhammad, Nisar and Murtaza, G and Khan, Afzal and Ashraf, Muhammad Waqar and Khan, Shamim
          Journal of Materials Chemistry A, 2021, 114619, Elsevier
        316. article: The study of typical water header flow structure by LES and RANS
          Qin, Hao and Wang, Bin and Guo, Yun and Hu, Miao
          Journal of Materials Chemistry A, 2021, 293--293, 0
        317. inproceedings: Aerodynamic performance of three-dimensional wing tip high Reynolds number turbulence with jet control
          Huang, Zizhen and Luo, Chengyuan and Qian, Peng and Chen, Zhiwei and Liu, Minghou
          Journal of Materials Chemistry A, 2021, 621, 012055, 1, IOP Publishing
        318. inproceedings: Flow and heat transfer characteristics of liquid metal sodium in tubes with different inner wall structures
          Luo, Chengyuan and Huang, Zizhen and Zhu, Xiugen and Qian, Peng and Liu, Minghou
          Journal of Materials Chemistry A, 2021, 621, 012028, 1, IOP Publishing
        319. inproceedings: GPUGraphX: A GPU-Aided Distributed Graph Processing System
          Li, Qi and Zou, Kai and Kong, Deyu and Guan, Huhao and Xie, Xike
          Journal of Materials Chemistry A, 2021, 501--509, Springer
        320. inproceedings: Study on flow and heat transfer of liquid metal in a new top-slotted microchannel heat sink
          Chen, Zhiwei and Qian, Peng and Huang, Zizhen and Luo, Chengyuan and Liu, Minghou
          Journal of Materials Chemistry A, 2021, 621, 012054, 1, IOP Publishing
        321. inproceedings: The flow and heat performance of tree-like network heat sink with diverging--converging channel
          Zhu, Xiugen and Qian, Peng and Huang, Zizhen and Luo, Chengyuan and Liu, Minghou
          Journal of Materials Chemistry A, 2021, 236, 01027, EDP Sciences
        322. article: Bioinspired Microenvironment Responsive Nanoprodrug as an Efficient Hydrophobic Drug Self-Delivery System for Cancer Therapy
          Xu, Pengping and Wang, Xueying and Li, Tuanwei and Li, Lingli and Wu, Huihui and Tu, Jinwei and Zhang, Ruoyang and Zhang, Lei and Guo, Zhen and Chen, Qianwang
          Journal of Materials Chemistry A, 2021, 13, 33926--33936, 29, ACS Publications
        323. article: High Catalytic Performance of Au/Bi2O3 for Preferential Oxidation of CO in H2
          Chen, Jing and Wang, Changlai and Zong, Cichang and Chen, Shi and Wang, Pengcheng and Chen, Qianwang
          Journal of Materials Chemistry A, 2021, ACS Publications
        324. article: Transition Metal and N Doping on AlP Monolayers for Bifunctional Oxygen Electrocatalysts: Density Functional Theory Study Assisted by Machine Learning Description
          Liu, Xuefei and Zhang, Yuefei and Wang, Wentao and Chen, Yuanzheng and Xiao, Wenjun and Liu, Tianyun and Zhong, Zhen and Luo, Zijiang and Ding, Zhao and Zhang, Zhaofu
          Journal of Materials Chemistry A, 2021, ACS Publications
        325. article: Vanadium Substitution Steering Reaction Kinetics Acceleration for Ni3N Nanosheets Endows Exceptionally Energy-Saving Hydrogen Evolution Coupled with Hydrazine Oxidation
          Zhang, Jihua and Liu, Yi and Li, Jianming and Jin, Xu and Li, Yapeng and Qian, Qizhu and Wang, Yixuan and El-Harairy, Ahmed and Li, Ziyun and Zhu, Yin and others
          Journal of Materials Chemistry A, 2021, 13, 3881--3890, 3, ACS Publications
        326. article: First-Principles Calculations of Room-Temperature Antiferromagnetism in Crystalline Transition-Metal Borate Nanosheets: Implications for Spintronics Applications
          Wu, Daoxiong and Zhuo, Zhiwen and Lv, Haifeng and Zhang, Kai and Ji, Yangqi and Wang, Peng and Luo, Xiao and Wu, Xiaojun and Yang, Jinlong
          Journal of Materials Chemistry A, 2021, 4, 10877--10885, 10, ACS Publications
        327. article: RLSchert: An HPC Job Scheduler Using Deep Reinforcement Learning and Remaining Time Prediction
          Wang, Qiqi and Zhang, Hongjie and Qu, Cheng and Shen, Yu and Liu, Xiaohui and Li, Jing
          Journal of Materials Chemistry A, 2021, 11, 9448, 20, Multidisciplinary Digital Publishing Institute
        328. article: Boosting the Rate Performance of Li--S Batteries via Highly Dispersed Cobalt Nanoparticles Embedded into Nitrogen-Doped Hierarchical Porous Carbon
          Yuan, Cheng and Zeng, Pan and Cheng, Chen and Yan, Tianran and Liu, Genlin and Wang, Wenmin and Hu, Jun and Li, Xin and Zhu, Junfa and Zhang, Liang
          Journal of Materials Chemistry A, 2021, 2826--2838, Chinese Chemical Society Zhongguancun, Haidian, Beijing 100190, China
        329. article: Single-cell analysis of COVID-19, sepsis, and HIV infection reveals hyperinflammatory and immunosuppressive signatures in monocytes
          Liu, Nianping and Jiang, Chen and Cai, Pengfei and Shen, Zhuoqiao and Sun, Wujianan and Xu, Hao and Fang, Minghao and Yao, Xinfeng and Zhu, Lin and Gao, Xuyuan and others
          Journal of Materials Chemistry A, 2021, 37, 109793, 1, Elsevier
        330. article: Viscoelastic relaxation of the upper mantle and afterslip following the 2014 MW8. 1 Iquique earthquake
          Hu, Zhiping and Hu, Yan and Bodunde, Segun Steven
          Journal of Materials Chemistry A, 2021, 1, 100002, 1, Elsevier
        331. article: Hybrid MPI and OpenMP parallel implementation of large-scale linear-response time-dependent density functional theory with plane-wave basis set
          Wan, Lingyun and Liu, Xiaofeng and Liu, Jie and Qin, Xinming and Hu, Wei and Yang, Jinlong
          Journal of Materials Chemistry A, 2021, IOP Publishing
        332. article: A machine learning vibrational spectroscopy protocol for spectrum prediction and spectrum-based structure recognition
          Ren, Hao and Li, Hao and Zhang, Qian and Liang, Lijun and Guo, Wenyue and Huang, Fang and Luo, Yi and Jiang, Jun
          Journal of Materials Chemistry A, 2021, 1, 488--494, 4, Elsevier
        333. article: Accurate Machine Learning Prediction of Protein Circular Dichroism Spectra with Embedded Density Descriptors
          Zhao, Luyuan and Zhang, Jinxiao and Zhang, Yaolong and Ye, Sheng and Zhang, Guozhen and Chen, Xin and Jiang, Bin and Jiang, Jun
          Journal of Materials Chemistry A, 2021, ACS Publications
        334. article: Mixed magnetic edge states in graphene quantum dots
          Li, Junyao and Liu, Xiaofeng and Wan, Lingyun and Qin, Xinming and Hu, Wei and Yang, Jinlong
          Journal of Materials Chemistry A, 2021, IOP Publishing

        2020年:264篇

        1. Article: Conjugated BODIPY Oligomers with Controllable Near-Infrared Absorptions as Promising Phototheranostic Agents through Excited-State Intramolecular Rotations
          Wu, Qinghua and Zhu, Yucheng and Fang, Xingbao and Hao, Xiangyu and Jiao, Lijuan and Hao, Erhong and Zhang, Weian
          ACS Applied Materials & Interfaces, 2020, oct, 12, 47208--47219, 42
          //pubs.acs.org/doi/10.1021/acsami.0c11701
        2. Article: Effects of Sb Deviation from Its Stoichiometric Ratio on the Micro-and Electronic Structures and Thermoelectric Properties of Cu12Sb4S13
          Huang, Lulu and Kong, Yuan and Zhang, Jian and Zhu, Chen and Zhang, Jinhua and Li, Yuanyue and Li, Di and Xin, Hongxing and Wang, Zhaoming and Qin, Xiaoying
          ACS applied materials & interfaces, 2020, 12, 14145--14153, 12, ACS Publications
        3. Article: Impact of active site density on oxygen reduction reactions using monodispersed Fe--N--C single-atom catalysts
          Han, Yulan and Li, Qin-Kun and Ye, Ke and Luo, Yi and Jiang, Jun and Zhang, Guozhen
          ACS applied materials & interfaces, 2020, 12, 15271--15278, 13, ACS Publications
        4. Article: Theoretical Calculation of Hydrogen Generation and Delivery via Photocatalytic Water Splitting in Boron–Carbon–Nitride Nanotube/Metal Cluster Hybrid
          Huang, Yan and Yang, Tongtong and Yu, Haishan and Li, Xiyu and Zhao, Jin and Zhang, Guozhen and Li, Xin and Yang, Li and Jiang, Jun
          ACS Applied Materials & Interfaces, 2020, oct, 12, 48684--48690, 43
          //pubs.acs.org/doi/10.1021/acsami.0c15315
        5. Article: Iodine and sulfur vacancy cooperation promotes ultrafast charge extraction at MAPbI3/MoS2 interface
          Shi, Yongliang and Prezhdo, Oleg V and Zhao, Jin and Saidi, Wissam A
          ACS Energy Letters, 2020, 5, 1346--1354, 5, ACS Publications
        6. Article: Porous CuFe for plasmon-assisted N2 photofixation
          Hou, Tingting and Chen, Lanlan and Xin, Yue and Zhu, Wenkun and Zhang, Chongyang and Zhang, Wenhua and Liang, Shuquan and Wang, Liangbing
          ACS Energy Letters, 2020, 5, 2444--2451, 7, ACS Publications
        7. Article: Phase Engineering of Iron--Cobalt Sulfides for Zn--Air and Na--Ion Batteries
          Lu, Shu and Jiang, Jun and Yang, Hai and Zhang, Ying-Jie and Pei, Dan-Ni and Chen, Jie-Jie and Yu, Yan
          ACS nano, 2020, 14, 10438--10451, 8, ACS Publications
        8. article: Phase Engineering of Iron–Cobalt Sulfides for Zn–Air and Na–Ion Batteries
          Lu, Shu and Jiang, Jun and Yang, Hai and Zhang, Ying-Jie and Pei, Dan-Ni and Chen, Jie-Jie and Yu, Yan
          ACS nano, 2020, aug, 14, 10438--10451, 8
          //pubs.acs.org/doi/10.1021/acsnano.0c04309
          分區:2
        9. Article: Strengthening and toughening hierarchical nanocellulose via humidity-mediated interface
          Hou, YuanZhen and Guan, Qing-Fang and Xia, Jun and Ling, Zhang-Chi and He, ZeZhou and Han, Zi-Meng and Yang, Huai-Bin and Gu, Ping and Zhu, YinBo and Yu, Shu-Hong and others
          ACS nano, 2020, 15, 1310--1320, 1, ACS Publications
        10. Article: Mg-doping enhanced superconductivity and ferromagnetism in Ti1- xMgxO films
          Fan, YJ and Gan, H and Wang, D and Sun, HY and Ma, C and Huang, FQ and Zhou, J and Yin, YW and Li, XG
          Acta Materialia, 2020, 200, 66--73, Elsevier
        11. Article: Formation of Solid–Electrolyte Interfaces in Aqueous Electrolytes by Altering Cation‐Solvation Shell Structure
          Hou, Zhiguo and Dong, Mengfei and Xiong, Yali and Zhang, Xueqian and Zhu, Yongchun and Qian, Yitai
          Advanced Energy Materials, 2020, apr, 10, 1903665, 15
          //onlinelibrary.wiley.com/doi/abs/10.1002/aenm.201903665
        12. Article: Toward high energy density all solid-state sodium batteries with excellent flexibility
          Yao, Yu and Wei, Zhenyao and Wang, Haiyun and Huang, Huijuan and Jiang, Yu and Wu, Xiaojun and Yao, Xiayin and Wu, Zhong-Shuai and Yu, Yan
          Advanced Energy Materials, 2020, 10, 1903698, 12, Wiley Online Library
        13. article: Increasing Photothermal Efficacy by Simultaneous Intra‐ and Intermolecular Fluorescence Quenching
          Du, Wei and Chong, Yuanyuan and Hu, Xiaomu and Wang, Yanfang and Zhu, Yu and Chen, Jihua and Li, Xiaoxia and Zhang, Qun and Wang, Guangfeng and Jiang, Jun and Liang, Gaolin
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        14. Article: Oxygen-deficient homo-interface toward exciting boost of pseudocapacitance
          Liu, Bo and Sun, Shuo and Jia, Ruyue and Zhang, Hongshen and Zhu, Xiaohui and Zhang, Chenguang and Xu, Jing and Zhai, Teng and Xia, Hui
          Advanced Functional Materials, 2020, 30, 1909546, 14, Wiley Online Library
        15. Article: Refining energy levels in ReS2 nanosheets by low-valent transition-metal doping for dual-boosted electrochemical ammonia/hydrogen production
          Lai, Feili and Chen, Nan and Ye, Xiaobin and He, Guanjie and Zong, Wei and Holt, Katherine B and Pan, Bicai and Parkin, Ivan P and Liu, Tianxi and Chen, Renjie
          Advanced Functional Materials, 2020, 30, 1907376, 11, Wiley Online Library
        16. Article: A dual-functional conductive framework embedded with TiN-VN heterostructures for highly efficient polysulfide and lithium regulation toward stable Li--S full batteries
          Yao, Yu and Wang, Haiyun and Yang, Hai and Zeng, Sifan and Xu, Rui and Liu, Fanfan and Shi, Pengcheng and Feng, Yuezhan and Wang, Kai and Yang, Wenjin and others
          Advanced Materials, 2020, 32, 1905658, 6, Wiley Online Library
        17. Article: Regulating the interfacial electronic coupling of Fe2N via orbital steering for hydrogen evolution catalysis
          Wu, Yishang and Cai, Jinyan and Xie, Yufang and Niu, Shuwen and Zang, Yipeng and Wu, Shaoyang and Liu, Yun and Lu, Zheng and Fang, Yanyan and Guan, Yong and others
          Advanced Materials, 2020, 32, 1904346, 26, Wiley Online Library
        18. Article: Unraveling the Nature of Excellent Potassium Storage in Small-Molecule Se@ Peapod-Like N-Doped Carbon Nanofibers
          Xu, Rui and Yao, Yu and Wang, Haiyun and Yuan, Yifei and Wang, Jiawei and Yang, Hai and Jiang, Yu and Shi, Pengcheng and Wu, Xiaojun and Peng, Zhangquan and others
          Advanced materials, 2020, 32, 2003879, 52, Wiley Online Library
        19. article: Amidation‐Dominated Re‐Assembly Strategy for Single‐Atom Design/Nano‐Engineering: Constructing Ni/S/C Nanotubes with Fast and Stable K‐Storage
          Yi, Zheng and Jiang, Song and Tian, Jie and Qian, Yong and Chen, Shimou and Wei, Shiqiang and Lin, Ning and Qian, Yitai
          Advanced materials, 2020, apr, 132, 6521--6527, 16
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        20. article: New Radical Borylation Pathways for Organoboron Synthesis Enabled by Photoredox Catalysis
          Qi, Jing and Zhang, Feng‐Lian and Jin, Ji‐Kang and Zhao, Qiang and Li, Bin and Liu, Lin‐Xuan and Wang, Yi‐Feng
          Advanced materials, 2020, jul, 132, 12976--12984, 31
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        21. Article: Regulating the coordination environment of MOF-templated single-atom nickel electrocatalysts for boosting CO2 reduction
          Gong, Yun-Nan and Jiao, Long and Qian, Yunyang and Pan, Chun-Yang and Zheng, Lirong and Cai, Xuechao and Liu, Bo and Yu, Shu-Hong and Jiang, Hai-Long
          Angewandte Chemie, 2020, 132, 2727--2731, 7, Wiley Online Library
        22. Article: Single atoms of iron on MoS2 nanosheets for N2 electroreduction into ammonia
          Su, Hongyang and Chen, Lanlan and Chen, Yizhen and Si, Rui and Wu, Yuting and Wu, Xiaonan and Geng, Zhigang and Zhang, Wenhua and Zeng, Jie
          Angewandte Chemie, 2020, 132, 20591--20596, 46, Wiley Online Library
        23. Article: Size-dependent nickel-based electrocatalysts for selective CO2 reduction
          Li, Zhida and He, Dong and Yan, Xingxu and Dai, Sheng and Younan, Sabrina and Ke, Zunjian and Pan, Xiaoqing and Xiao, Xiangheng and Wu, Hongjun and Gu, Jing
          Angewandte Chemie, 2020, 132, 18731--18736, 42, Wiley Online Library
        24. Article: Active Electron Density Modulation of Co3O4-Based Catalysts Enhances their Oxygen Evolution Performance
          He, Dong and Song, Xianyin and Li, Wenqing and Tang, Chongyang and Liu, Jiangchao and Ke, Zunjian and Jiang, Changzhong and Xiao, Xiangheng
          Angewandte Chemie International Edition, 2020, 59, 6929--6935, 17, Wiley Online Library
        25. Article: Amidation-Dominated Re-Assembly Strategy for Single-Atom Design/Nano-Engineering: Constructing Ni/S/C Nanotubes with Fast and Stable K-Storage
          Yi, Zheng and Jiang, Song and Tian, Jie and Qian, Yong and Chen, Shimou and Wei, Shiqiang and Lin, Ning and Qian, Yitai
          Angewandte Chemie International Edition, 2020, 59, 6459--6465, 16, Wiley Online Library
        26. Article: New radical borylation pathways for organoboron synthesis enabled by photoredox catalysis
          Qi, Jing and Zhang, Feng-Lian and Jin, Ji-Kang and Zhao, Qiang and Li, Bin and Liu, Lin-Xuan and Wang, Yi-Feng
          Angewandte Chemie International Edition, 2020, 59, 12876--12884, 31, Wiley Online Library
        27. Article: Sulfonated microporous polymer membranes with fast and selective ion transport for electrochemical energy conversion and storage
          Zuo, Peipei and Li, Yuanyuan and Wang, Anqi and Tan, Rui and Liu, Yahua and Liang, Xian and Sheng, Fangmeng and Tang, Gonggen and Ge, Liang and Wu, Liang and others
          Angewandte Chemie International Edition, 2020, 59, 9564--9573, 24, Wiley Online Library
        28. Article: Enhanced full solar spectrum photocatalysis by nitrogen-doped graphene quantum dots decorated BiO2-x nanosheets: Ultrafast charge transfer and molecular oxygen activation
          Chen, Fei and Liu, Lian-Lian and Zhang, Ying-Jie and Wu, Jing-Hang and Huang, Gui-Xiang and Yang, Qi and Chen, Jie-Jie and Yu, Han-Qing
          Applied Catalysis B: Environmental, 2020, 277, 119218, Elsevier
        29. Article: Mechanistic study of Fe (III) chelate reduction in a neutral electro-Fenton process
          Liu, Xiao-Cheng and He, Chuan-Shu and Shen, Zi-Yang and Li, Wen-Qiang and Chen, Ning and Song, Jun-Sheng and Zhou, Xiao-Guo and Mu, Yang
          Applied Catalysis B: Environmental, 2020, 278, 119347, Elsevier
        30. Article: Realizing synergistic effect of electronic modulation and nanostructure engineering over graphitic carbon nitride for highly efficient visible-light H2 production coupled with benzyl alcohol oxidation
          Zhang, Fu and Li, Jianming and Wang, Haifei and Li, Yapeng and Liu, Yi and Qian, Qizhu and Jin, Xu and Wang, Xiaoqi and Zhang, Jihua and Zhang, Genqiang
          Applied Catalysis B: Environmental, 2020, 269, 118772, Elsevier
        31. Article: Selective electrochemical CO2 reduction on Cu-Pd heterostructure
          Xie, Jia-Fang and Chen, Jie-Jie and Huang, Yu-Xi and Zhang, Xing and Wang, Wei-Kang and Huang, Gui-Xiang and Yu, Han-Qing
          Applied Catalysis B: Environmental, 2020, 270, 118864, Elsevier
        32. Article: Micromechanical properties of pyrolytic carbon with interlayer crosslink
          Chen, MingWei and Wu, Bao and Zhou, LiChuan and Zhu, YinBo and Wu, HengAn
          Carbon, 2020, 159, 549--560, Elsevier
        33. Article: Unravelling the bindings between organic molecule and reduced graphene oxide in aqueous environment
          Xia, Jun and Zhu, YinBo and Jin, Xu and Wu, HengAn
          Carbon, 2020, 167, 345--350, Elsevier
        34. Article: High-spin sulfur-mediated phosphorous activation enables safe and fast phosphorus anodes for sodium-ion batteries
          Zhou, Jianbin and Liu, Xiaojing and Zhu, Linqin and Niu, Shuwen and Cai, Jinyan and Zheng, Xusheng and Ye, Jian and Lin, Yue and Zheng, Lei and Zhu, Zixuan and others
          Chem, 2020, 6, 221--233, 1, Elsevier
        35. Article: Regioselective electrosynthesis of tetra-and hexa-functionalized [60] fullerene derivatives with unprecedented addition patterns
          Liu, Kai-Qing and Wang, Jun-Jie and Yan, Xing-Xing and Niu, Chuang and Wang, Guan-Wu
          Chemical science, 2020, 11, 384--388, 2, Royal Society of Chemistry
        36. Article: Hydrogenation of Furfural to Cyclopentanone under Mild Conditions by a Structure-Optimized Ni- NiO/TiO2 Heterojunction Catalyst
          Chen, Shuo and Qian, Ting-Ting and Ling, Li-Li and Zhang, Wenhua and Gong, Bing-Bing and Jiang, Hong
          ChemSusChem, 2020, 13, 5507--5515, 20, Wiley Online Library
        37. Article: Screening viologen derivatives for neutral aqueous organic redox flow batteries
          Liu, Yahua and Li, Yuanyuan and Zuo, Peipei and Chen, Qianru and Tang, Gonggen and Sun, Pan and Yang, Zhengjin and Xu, Tongwen
          ChemSusChem, 2020, 13, 2245--2249, 9, Wiley Online Library
        38. Article: Flame acceleration and deflagration-to-detonation transition in hydrogen-air mixture in a channel with an array of obstacles of different shapes
          Xiao, Huahua and Oran, Elaine S
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        39. Article: Global uncertainty analysis for the RRKM/master equation modeling of a typical multi-well and multi-channel reaction system
          Huang, Can and Li, Shuang and Wang, Jiaxing and Yang, Bin and Zhang, Feng
          Combustion and Flame, 2020, 216, 62--71, Elsevier
        40. Article: High-purity pyrrole-type FeN 4 sites as a superior oxygen reduction electrocatalyst
          Zhang, Nan and Zhou, Tianpei and Chen, Minglong and Feng, Hu and Yuan, Ruilin and Yan, Wensheng and Tian, Yangchao and Wu, Xiaojun and Chu, Wangsheng and Wu, Changzheng and others
          Energy & Environmental Science, 2020, 13, 111--118, 1, Royal Society of Chemistry
        41. Article: Understanding mesopore volume-enhanced extra-capacity: Optimizing mesoporous carbon for high-rate and long-life potassium-storage
          Qian, Yong and Jiang, Song and Li, Yang and Yi, Zheng and Zhou, Jie and Tian, Jie and Lin, Ning and Qian, Yitai
          Energy Storage Materials, 2020, 29, 341--349, Elsevier
        42. Article: APEC: an accesson-based method for single-cell chromatin accessibility analysis
          Li, Bin and Li, Young and Li, Kun and Zhu, Lianbang and Yu, Qiaoni and Cai, Pengfei and Fang, Jingwen and Zhang, Wen and Du, Pengcheng and Jiang, Chen and others
          Genome biology, 2020, 21, 1--27, 1, BioMed Central
        43. Article: A genome-wide long noncoding RNA CRISPRi screen identifies PRANCR as a novel regulator of epidermal homeostasis
          Cai, Pengfei and Otten, Auke BC and Cheng, Binbin and Ishii, Mitsuhiro A and Zhang, Wen and Huang, Beibei and Qu, Kun and Sun, Bryan K
          Genome research, 2020, 30, 22--34, 1, Cold Spring Harbor Lab
        44. Article: Landscape and dynamics of the transcriptional regulatory network during natural killer cell differentiation
          Li, Kun and Wu, Yang and Li, Young and Yu, Qiaoni and Tian, Zhigang and Wei, Haiming and Qu, Kun
          Genomics, proteomics & bioinformatics, 2020, 18, 501--515, 5, Elsevier
        45. Article: Prominent daytime TEC enhancements under the quiescent condition of January 2017
          Huang, Fuqing and Lei, Jiuhou and Zhang, Ruilong and Li, Na and Gu, Shengyang and Yu, You and Liu, Libo and Owolabi, Charles and Ning, Baiqi and Li, Guozhu and others
          Geophysical Research Letters, 2020, 47, e2020GL088398, 14, Wiley Online Library
        46. Article: Multi-yolk--shell bismuth@ porous carbon as a highly efficient electrocatalyst for artificial N 2 fixation under ambient conditions
          Qiu, Yu and Zhao, Sen and Qin, Mingxin and Diao, Jinxiang and Liu, Shuangquan and Dai, Lanxin and Zhang, Wenhua and Guo, Xiaohui
          Inorganic Chemistry Frontiers, 2020, 7, 2006--2016, 10, Royal Society of Chemistry
        47. Article: A phosphorene-like InP 3 monolayer: Structure, stability, and catalytic properties toward the hydrogen evolution reaction
          Jalil, Abdul and Zhuo, Zhiwen and Sun, Zhongti and Wu, Fang and Wang, Chuan and Wu, Xiaojun
          Journal of Materials Chemistry A, 2020, 8, 1307--1314, 3, Royal Society of Chemistry
        48. Article: A robust spring-like lamellar VO/C nanostructure for high-rate and long-life potassium-ion batteries
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          Journal of Materials Chemistry A, 2020, 8, 23939--23946, 45, Royal Society of Chemistry
        49. Article: Emerging linear activity trend in the oxygen evolution reaction with dual-active-sites mechanism
          Yang, Li and Wu, Yuxuan and Wu, Fan and Zhao, Yuan and Zhuo, Zhiwen and Wang, Zhaowu and Li, Xiyu and Luo, Yi and Jiang, Jun
          Journal of Materials Chemistry A, 2020, 8, 20946--20952, 40, Royal Society of Chemistry
        50. Article: Exceeding the volcano relationship in oxygen reduction/evolution reactions using single-atom-based catalysts with dual-active-sites
          Li, Xiyu and Duan, Sai and Sharman, Edward and Zhao, Yuan and Yang, Li and Zhuo, Zhiwen and Cui, Peng and Jiang, Jun and Luo, Yi
          Journal of Materials Chemistry A, 2020, 8, 10193--10198, 20, Royal Society of Chemistry
        51. Article: Layered double hydroxide derived NiAl-oxide hollow nanospheres for selective transfer hydrogenation with improved stability
          Pan, Zhengyi and Jiang, Haibin and Gong, Bingbing and Luo, Rong and Zhang, Wenhua and Wang, Guang-Hui
          Journal of Materials Chemistry A, 2020, 8, 23376--23384, 44, Royal Society of Chemistry
        52. Article: Promoting spherical epitaxial deposition of solid sulfides for high-capacity Li--S batteries
          Xu, Kangli and Zhu, Maogen and Zhu, Linqin and Li, Danying and Zhang, Wanqun and Huang, Tao and Zhu, Yongchun and Qian, Yitai
          Journal of materials chemistry A, 2020, 8, 7100--7108, 15, Royal Society of Chemistry
        53. Article: Precise aangstr"om controlling the interlayer channel of MoS2 membranes by cation intercalation
          Chu, Chengquan and Fu, Cen-Feng and Zhang, Pengpeng and Pan, Ting and Ai, Xinyu and Wu, Yuying and Cui, Peng and Huang, Qiang and Ran, Jin
          Journal of Membrane Science, 2020, 615, 118520, Elsevier
        54. Article: A simple molecular design strategy for two-dimensional covalent organic framework capable of visible-light-driven water splitting
          Wan, Yangyang and Wang, Lei and Xu, Hangxun and Wu, Xiaojun and Yang, Jinlong
          Journal of the American Chemical Society, 2020, 142, 4508--4516, 9, ACS Publications
        55. Article: Electric Dipole Descriptor for Machine Learning Prediction of Catalyst Surface–Molecular Adsorbate Interactions
          Wang, Xijun and Ye, Sheng and Hu, Wei and Sharman, Edward and Liu, Ran and Liu, Yan and Luo, Yi and Jiang, Jun
          Journal of the American Chemical Society, 2020, apr, 142, 7737--7743, 17
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        56. Article: Fast lithium ion conductivity in layered (Li--Ag) CrS2
          Peng, Jing and Liu, Yuhua and Pan, Yu and Wu, Jiajing and Su, Yueqi and Guo, Yuqiao and Wu, Xiaojun and Wu, Changzheng and Xie, Yi
          Journal of the American Chemical Society, 2020, 142, 18645--18651, 43, ACS Publications
        57. Article: Photocatalytic molecular oxygen activation by regulating excitonic effects in covalent organic frameworks
          Qian, Yunyang and Li, Dandan and Han, Yulan and Jiang, Hai-Long
          Journal of the American Chemical Society, 2020, 142, 20763--20771, 49, ACS Publications
        58. Article: Realizing a not-strong-not-weak polarization electric field in single-atom catalysts sandwiched by boron nitride and graphene sheets for efficient nitrogen fixation
          Tang, Shaobin and Dang, Qian and Liu, Tianyong and Zhang, Shiyong and Zhou, Zhonggao and Li, Xiaokang and Wang, Xijun and Sharman, Edward and Luo, Yi and Jiang, Jun
          Journal of the American Chemical Society, 2020, 142, 19308--19315, 45, ACS Publications
        59. Article: Regulating Photocatalysis by Spin-State Manipulation of Cobalt in Covalent Organic Frameworks
          Gong, Yun-Nan and Zhong, Wenhui and Li, Yang and Qiu, Yunze and Zheng, Lirong and Jiang, Jun and Jiang, Hai-Long
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          Xia, Nan and Yuan, Jinyun and Liao, Lingwen and Zhang, Wenhao and Li, Jin and Deng, Haiteng and Yang, Jinlong and Wu, Zhikun
          Journal of the American Chemical Society, 2020, 142, 12140--12145, 28, ACS Publications
        61. Article: Tunable hydrogen doping of metal oxide semiconductors with acid--metal treatment at ambient conditions
          Xie, Liyan and Zhu, Qing and Zhang, Guozhen and Ye, Ke and Zou, Chongwen and Prezhdo, Oleg V and Wang, Zhaowu and Luo, Yi and Jiang, Jun
          Journal of the American Chemical Society, 2020, 142, 4136--4140, 9, ACS Publications
        62. Article: Excitons in bent black phosphorus nanoribbons: multiple excitonic funnels
          Sun, J and Li, X and Ullrich, CA and Yang, J
          Materials Today Advances, 2020, 7, 100096, Elsevier
        63. Article: Creation of the Dirac Nodal Line by extrinsic Symmetry engineering
          Tian, Mingyang and Wang, Jufeng and Liu, Xiaofeng and Chen, Weiwei and Liu, Zhao and Du, Hongjian and Ma, Xiaochuan and Cui, Xuefeng and Zhao, Aidi and Shi, Qinwei and others
          Nano Letters, 2020, 20, 2157--2162, 3, ACS Publications
        64. Article: Folding Graphene into a Chern Insulator with Light Irradiation
          Zhao, Gan and Mu, Haimen and Liu, Feng and Wang, Zhengfei
          Nano Letters, 2020, 20, 5860--5865, 8, ACS Publications
        65. Article: Non-Collinear Orbital-induced Planar Quantum Anomalous Hall Effect
          Guo, Xu and Liu, Zhao and Liu, Bing and Li, Qunxiang and Wang, Zhengfei
          Nano Letters, 2020, 20, 7606--7612, 10, ACS Publications
        66. Article: Two-dimensional giant tunable rashba semiconductors with two-atom-thick buckled honeycomb structure
          Wu, Kai and Chen, Jiajia and Ma, Huanhuan and Wan, Lingyun and Hu, Wei and Yang, Jinlong
          Nano Letters, 2020, 21, 740--746, 1, ACS Publications
        67. Article: Direct bandgap engineering with local biaxial strain in few-layer MoS2 bubbles
          Guo, Yang and Li, Bin and Huang, Yuan and Du, Shuo and Sun, Chi and Luo, Hailan and Liu, Baoli and Zhou, Xingjiang and Yang, Jinlong and Li, Junjie and others
          Nano Research, 2020, 13, 2072--2078, 8, Springer
        68. Article: Zn-doping enhances the photoluminescence and stability of PbS quantum dots for in vivo high-resolution imaging in the NIR-II window
          Shi, Xiulei and Chen, Song and Luo, Meng-Yao and Huang, Biao and Zhang, Guozhen and Cui, Ran and Zhang, Mingxi
          Nano Research, 2020, 13, 2239--2245, 8, Springer
        69. Article: Catalytic asymmetric C--Si bond activation via torsional strain-promoted Rh-catalyzed aryl-Narasaka acylation
          Feng, Jia and Bi, Xiufen and Xue, Xiaoping and Li, Na and Shi, Lei and Gu, Zhenhua
          Nature communications, 2020, 11, 1--12, 1, Nature Publishing Group
        70. Article: Chromatin accessibility landscapes of skin cells in systemic sclerosis nominate dendritic cells in disease pathogenesis
          Liu, Qian and Zaba, Lisa C and Satpathy, Ansuman T and Longmire, Michelle and Zhang, Wen and Li, Kun and Granja, Jeffrey and Guo, Chuang and Lin, Jun and Li, Rui and others
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        71. Article: Connecting glass-forming ability of binary mixtures of soft particles to equilibrium melting temperatures
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          Nature Communications, 2020, 11, 1--10, 1, Nature Publishing Group
        72. Article: Manipulating dehydrogenation kinetics through dual-doping Co3N electrode enables highly efficient hydrazine oxidation assisting self-powered H2 production
          Liu, Yi and Zhang, Jihua and Li, Yapeng and Qian, Qizhu and Li, Ziyun and Zhu, Yin and Zhang, Genqiang
          Nature communications, 2020, 11, 1--13, 1, Nature Publishing Group
        73. Article: Metal chloride perovskite thin film based interfacial layer for shielding lithium metal from liquid electrolyte
          Yin, Yi-Chen and Wang, Qian and Yang, Jing-Tian and Li, Feng and Zhang, Guozhen and Jiang, Chen-Hui and Mo, Hong-Sheng and Yao, Ji-Song and Wang, Kun-Hua and Zhou, Fei and others
          Nature communications, 2020, 11, 1--9, 1, Nature Publishing Group
        74. Article: Modulating oxygen coverage of Ti3C2Tx MXenes to boost catalytic activity for HCOOH dehydrogenation
          Hou, Tingting and Luo, Qiquan and Li, Qi and Zu, Hualu and Cui, Peixin and Chen, Siwei and Lin, Yue and Chen, Jiajia and Zheng, Xusheng and Zhu, Wenkun and others
          Nature communications, 2020, 11, 1--11, 1, Nature Publishing Group
        75. Article: Molecular molds for regularizing Kondo states at atom/metal interfaces
          Li, Xiangyang and Zhu, Liang and Li, Bin and Li, Jingcheng and Gao, Pengfei and Yang, Longqing and Zhao, Aidi and Luo, Yi and Hou, Jianguo and Zheng, Xiao and others
          Nature communications, 2020, 11, 1--8, 1, Nature Publishing Group
        76. Article: Nanocasting SiO2 into metal--organic frameworks imparts dual protection to high-loading Fe single-atom electrocatalysts
          Jiao, Long and Zhang, Rui and Wan, Gang and Yang, Weijie and Wan, Xin and Zhou, Hua and Shui, Jianglan and Yu, Shu-Hong and Jiang, Hai-Long
          Nature communications, 2020, 11, 1--7, 1, Nature Publishing Group
        77. Article: Single crystalline quaternary sulfide nanobelts for efficient solar-to-hydrogen conversion
          Wu, Liang and Wang, Qian and Zhuang, Tao-Tao and Li, Yi and Zhang, Guozhen and Liu, Guo-Qiang and Fan, Feng-Jia and Shi, Lei and Yu, Shu-Hong
          Nature communications, 2020, 11, 1--8, 1, Nature Publishing Group
        78. Article: Single-cell analysis of two severe COVID-19 patients reveals a monocyte-associated and tocilizumab-responding cytokine storm
          Guo, Chuang and Li, Bin and Ma, Huan and Wang, Xiaofang and Cai, Pengfei and Yu, Qiaoni and Zhu, Lin and Jin, Liying and Jiang, Chen and Fang, Jingwen and others
          Nature communications, 2020, 11, 1--11, 1, Nature Publishing Group
        79. Article: Turning main-group element magnesium into a highly active electrocatalyst for oxygen reduction reaction
          Liu, Shuai and Li, Zedong and Wang, Changlai and Tao, Weiwei and Huang, Minxue and Zuo, Ming and Yang, Yang and Yang, Kang and Zhang, Lijuan and Chen, Shi and others
          Nature communications, 2020, 11, 1--11, 1, Nature Publishing Group
        80. article: Velocity and density characteristics of subducted oceanic crust and the origin of lower-mantle heterogeneities
          Wang, Wenzhong and Xu, Yinhan and Sun, Daoyuan and Ni, Sidao and Wentzcovitch, Renata and Wu, Zhongqing
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        81. Article: Mechanistic study on the regioselective Ni-catalyzed dicarboxylation of 1, 3-dienes with CO 2
          Nie, Wan and Shao, Yifan and Ahlquist, Maarten SG and Yu, Haizhu and Fu, Yao
          Organic Chemistry Frontiers, 2020, 7, 4080--4088, 24, Royal Society of Chemistry
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          Fan, JingCun and De Coninck, Jo"el and Wu, HengAn and Wang, FengChao
          Physical Review Letters, 2020, 124, 125502, 12, APS
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          Physical Review Letters, 2020, Amer Physical Soc.
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          Ablikim, M and Achasov, MN and Adlarson, P and Ahmed, S and Albrecht, M and Amoroso, A and An, Q and Bai, Y and Bakina, O and Ferroli, R Baldini and others
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          Wang, Yuchuan and Fang, Sheng and Xu, Ning and Deng, Youjin
          Physical Review Letters, 2020, 124, 255501, 25, APS
        86. Article: Chromatin accessibility analysis reveals regulatory dynamics of developing human retina and hiPSC-derived retinal organoids
          Xie, Haohuan and Zhang, Wen and Zhang, Mei and Akhtar, Tasneem and Li, Young and Yi, Wenyang and Sun, Xiao and Zuo, Zuqi and Wei, Min and Fang, Xin and others
          Science advances, 2020, 6, eaay5247, 6, American Association for the Advancement of Science
        87. Article: Disordered hyperuniformity in two-dimensional amorphous silica
          Zheng, Yu and Liu, Lei and Nan, Hanqing and Shen, Zhen-Xiong and Zhang, Ge and Chen, Duyu and He, Lixin and Xu, Wenxiang and Chen, Mohan and Jiao, Yang and others
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        88. Article: Low-frequency lattice phonons in halide perovskites explain high defect tolerance toward electron-hole recombination
          Chu, Weibin and Zheng, Qijing and Prezhdo, Oleg V and Zhao, Jin and Saidi, Wissam A
          Science advances, 2020, 6, eaaw7453, 7, American Association for the Advancement of Science
        89. Article: N-induced lattice contraction generally boosts the hydrogen evolution catalysis of P-rich metal phosphides
          Cai, Jinyan and Song, Yao and Zang, Yipeng and Niu, Shuwen and Wu, Yishang and Xie, Yufang and Zheng, Xusheng and Liu, Yun and Lin, Yue and Liu, Xiaojing and others
          Science advances, 2020, 6, eaaw8113, 1, American Association for the Advancement of Science
        90. article: First principles study on methane reforming over Ni/TiO2(110) surface in solid oxide fuel cells under dry and wet atmospheres
          Yang, Wenqiang and Wang, Zhenbin and Tan, Wenzhou and Peng, Ranran and Wu, Xiaojun and Lu, Yalin
          Science advances, 2020, mar, 63, 364--374, 3
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          Fang, Xiang-Er and Guo, Fulai and Yuan, Ye-Fei
          Science advances, 2020, 894, 1, 1, IOP Publishing
        92. article: Descriptor-based design principle for two-dimensional single-atom catalysts: carbon dioxide electroreduction
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          Science advances, 2020, 11, 3481--3487, 9, ACS Publications
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          Ji, Qianqian and Kong, Yuan and Wang, Chao and Tan, Hao and Duan, Hengli and Hu, Wei and Li, Guinan and Lu, Ying and Li, Na and Wang, Yao and others
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          Hong, Peidong and Li, Yulian and He, Junyong and Saeed, Abdul and Zhang, Kaisheng and Wang, Chengming and Kong, Lingtao and Liu, Jinhuai
          Applied Surface Science, 2020, 526, 146557, Elsevier
        95. Article: Effects of bluff-body on the thermal performance of micro thermophotovoltaic system based on porous media combustion
          Qian, Peng and Liu, Minghou and Li, Xinlong and Xie, Fubo and Huang, Zizhen and Luo, Chengyuan and Zhu, Xiugen
          Applied Thermal Engineering, 2020, 174, 115281, Elsevier
        96. Article: Effects of geometry and multisource heat input on flow and heat transfer in single closed-loop pulsating heat pipe
          Xie, Fubo and Li, Xinlong and Qian, Peng and Huang, Zizhen and Liu, Minghou
          Applied Thermal Engineering, 2020, 168, 114856, Elsevier
        97. Article: Numerical investigation on a double layer combined cooling structure for aerodynamic heat control of hypersonic vehicle leading edge
          Ding, Rui and Wang, Jianhua and He, Fei and Wang, Meng and Luan, Yun and Dong, Guangqi and Tang, Longsheng
          Applied Thermal Engineering, 2020, 169, 114949, Elsevier
        98. Article: Multiscale investigations into the fracture toughness of SiC/graphene composites: Atomistic simulations and crack-bridging model
          Wang, YongChao and Zhu, YinBo and He, ZeZhou and Wu, HengAn
          Ceramics International, 2020, 46, 29101--29110, 18, Elsevier
        99. Article: Second Sphere Ligand Promoted Organoiridium Catalysts for Methanol Dehydrogenation under Mild Conditions
          Bai, Chuang and Wang, Huihui and Ning, Fandi and Fu, Junhao and Wei, Jun and Lu, Guanbin and Shen, Yangbin and Zhou, Xiaochun
          ChemCatChem, 2020, 12, 4024--4028, 16, Wiley Online Library
        100. Article: Hierarchically porous biochar for supercapacitor and electrochemical H2O2 production
          Gao, Miao and Wang, Wei-Kang and Zheng, Yu-Ming and Zhao, Quan-Bao and Yu, Han-Qing
          Chemical Engineering Journal, 2020, 402, 126171, Elsevier
        101. Article: Enhanced Catalytic Oxidation of CO on Sulfur‐Doped Boron Nitride
          Liu, Bingping and Lee, Jin Yong and Yan, Shihai
          ChemNanoMat, 2020, feb, 6, 223--231, 2
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        102. Article: Vacancy engineering of group VI anions in NiCo2A4 (A= O, S, Se) for efficient hydrogen production by weakening the shackles of hydronium ion
          Zong, Wei and Lian, Ruqian and He, Guanjie and Guo, Hele and Ouyang, Yue and Wang, Jing and Lai, Feili and Miao, Yue-E and Rao, Dewei and Brett, Dan and others
          Electrochimica Acta, 2020, 333, 135515, Elsevier
        103. Article: Molecular mechanism of histone variant H2A. B on stability and assembly of nucleosome and chromatin structures
          Peng, Junhui and Yuan, Chuang and Hua, Xinfan and Zhang, Zhiyong
          Epigenetics & chromatin, 2020, 13, 1--14, 1, BioMed Central
        104. Article: DNS of Instantaneous Behavior in Turbulent Forced and Mixed Convection of Liquid Metal Past a Backward-Facing Step
          Wang, Chaozheng and Zhao, Pinghui and Lei, Mingzhun and Lu, Kun and Ge, Zhihao and Liu, Jiaming and Li, Yuanjie and Pei, Gang
          Flow, Turbulence and Combustion, 2020, sep
          //link.springer.com/10.1007/s10494-020-00214-1
        105. Article: Density Functional Prediction of Quasiparticle, Excitation, and Resonance Energies of Molecules With a Global Scaling Correction Approach
          Yang, Xiaolong and Zheng, Xiao and Yang, Weitao
          Frontiers in chemistry, 2020, 8, 588808, Frontiers Media SA
        106. Article: Parallel Implementation of Large-Scale Linear Scaling Density Functional Theory Calculations With Numerical Atomic Orbitals in HONPAS
          Luo, Zhaolong and Qin, Xinming and Wan, Lingyun and Hu, Wei and Yang, Jinlong
          Frontiers in chemistry, 2020, 8, 589910, Frontiers Media SA
        107. Article: N-cluster correlations in four- and five-dimensional percolation
          Tan, Xiao-Jun and Deng, You-Jin and Jacobsen, Jesper Lykke
          Frontiers of Physics, 2020, aug, 15, 41501, 4
          //link.springer.com/10.1007/s11467-020-0972-6
        108. Article: Direct numerical simulation of low temperature reactions affecting n-dodecane spray autoignition
          Zhou, Taotao and Zhao, Peng and Ye, Taohong and Zhu, Minming and Tao, Changfa
          Fuel, 2020, 280, 118453, Elsevier
        109. article: Boosting Electrocatalytic N $_ extrm2$ Reduction to NH $_ extrm3$ over Two-Dimensional Gallium Selenide by Defect-Size Engineering
          Li, Mengyuan and Cui, Yu and Sun, Liping and Zhang, Xiaoli and Peng, Lei and Huang, Yucheng
          Fuel, 2020, apr, 59, 4858--4867, 7
          //pubs.acs.org/doi/abs/10.1021/acs.inorgchem.0c00131
        110. Article: Boosting electrocatalytic N2 reduction to NH3 over two-dimensional gallium selenide by defect-size engineering
          Li, Mengyuan and Cui, Yu and Sun, Liping and Zhang, Xiaoli and Peng, Lei and Huang, Yucheng
          Inorganic Chemistry, 2020, 59, 4858--4867, 7, ACS Publications
        111. Article: First-Principles Study on Self-Activated Luminescence and 4f → 5d Transitions of Ce $^ extrm3+$ in M $_ extrm5$ (PO $_ extrm4$ ) $_ extrm3$ X (
          Wen, Jun and Wang, Yan and Jiang, Guisheng and Zhong, Jiyou and Chu, Jimin and Xia, Qiangsheng and Zhang, Qingping and Ning, Lixin and Duan, Chang-Kui and Yin, Min
          Inorganic Chemistry, 2020, apr, 59, 5170--5181, 7
          //pubs.acs.org/doi/abs/10.1021/acs.inorgchem.0c00406
        112. Article: Identifying the Active Site on Graphene Oxide Nanosheets for Ambient Electrocatalytic Nitrogen Reduction
          Wang, Sini and Zhu, Jingjing and Zhang, Yicheng and Liu, Qiangchun and Chen, Guilin and Kong, Xiangkai
          Inorganic Chemistry, 2020, aug, 59, 11108--11112, 15, ACS Publications
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        113. Article: Study on the effect of varying channel aspect ratio on heat transfer performance of manifold microchannel heat sink
          Pan, Yu-Hui and Zhao, Rui and Fan, Xi-Hui and Nian, Yong-Le and Cheng, Wen-Long
          International Journal of Heat and Mass Transfer, 2020, 163, 120461, Elsevier
        114. Article: Atomistic insight into the hydration and proton conducting mechanisms of the cobalt doped Ruddlesden-Popper structure Sr3Fe2O7-$delta$
          Chen, Meina and Xuan, Yan and Zhang, Feng and He, Lei and Wang, Xue and Pan, Huaqing and Ren, Junfeng and Lin, Zijing
          International Journal of Hydrogen Energy, 2020, 45, 14964--14971, 29, Elsevier
        115. Article: Combustion characteristics and radiation performance of premixed hydrogen/air combustion in a mesoscale divergent porous media combustor
          Qian, Peng and Liu, Minghou and Li, Xinlong and Xie, Fubo and Huang, Zizhen and Luo, Chengyuan and Zhu, Xiugen
          International Journal of Hydrogen Energy, 2020, 45, 5002--5013, 7, Elsevier
        116. Article: Numerical investigation on the performance of bluff body augmented micro cavity-combustor
          Zhang, Zheng and Wu, Kun and Yuen, Richard and Yao, Wei and Wang, Jian
          International Journal of Hydrogen Energy, 2020, 45, 4932--4945, 7, Elsevier
        117. Article: Sphere-like Eu12 and (EuX) 12 (X= N, O, and S) clusters with ultrahigh magnetic moments
          Zhao, Run-Ning and Chen, Rui and Duan, Yuhua and Han, Ju-Guang
          Journal of Alloys and Compounds, 2020, 822, 153495, Elsevier
        118. Article: Synthesis of G-La2Si2O7: Eu2+ phosphors by addition of AlF3: Experimental and theoretical analysis
          Li, Zhan and Ji, Wei-Wei and Hao, Lu-Yuan and Yin, Liang-Jun and Xu, Xin and Agathopoulos, Simeon and Lee, Ming-Hsien
          Journal of Alloys and Compounds, 2020, 844, 156127, Elsevier
        119. Article: Task scheduling based on swarm intelligence algorithms in high performance computing environment
          Chai, Xuqing
          Journal of Ambient Intelligence and Humanized Computing, 2020, may, 1--9, Springer
          //link.springer.com/10.1007/s12652-020-01994-0
        120. Article: Efficient hybrid density functional calculations for large periodic systems using numerical atomic orbitals
          Lin, Peize and Ren, Xinguo and He, Lixin
          Journal of Chemical Theory and Computation, 2020, 17, 222--239, 1, ACS Publications
        121. Article: Decadal viscoelastic postseismic deformation of the 1964 Mw9. 2 Alaska earthquake
          Huang, Kejing and Hu, Yan and Freymueller, Jeffrey T
          Journal of Geophysical Research: Solid Earth, 2020, 125, e2020JB019649, 9, Wiley Online Library
        122. Article: Decadal Viscoelastic Postseismic Deformation of the 1964 Mw9.2 Alaska Earthquake
          Huang, Kejing and Hu, Yan and Freymueller, Jeffrey T.
          Journal of Geophysical Research: Solid Earth, 2020, sep, 125, 9
          //onlinelibrary.wiley.com/doi/10.1029/2020JB019649
        123. Article: Quantitative insights into the chemical trend of four-coordinated Mn2+ emission in inorganic compounds
          Wang, Lei and Zhao, Jing and Zhao, Ning and Zhou, Rulong and Qu, Bingyan
          Journal of Luminescence, 2020, 225, 117399, Elsevier
        124. Article: Pyridinium-substituted tetraphenylethylene salt-based photosensitizers by varying counter anions: a highly efficient photodynamic therapy for cancer cell ablation and bacterial inactivation
          Xiong, Wei and Wang, Lingyun and Chen, Xiaoli and Tang, Hao and Cao, Derong and Zhang, Guozhen and Chen, Wei
          Journal of Materials Chemistry B, 2020, 8, 5234--5244, 24, Royal Society of Chemistry
        125. Article: Long Alkyl Side Chains Simultaneously Improve Mechanical Robustness and Healing Ability of a Photoswitchable Polymer
          Zhang, Zhenlin and Chen, Mingsen and Schneider, Igor and Liu, Yazhi and Liang, Shuofeng and Sun, Shijie and Koynov, Kaloian and Butt, Hans-Jürgen and Wu, Si
          Macromolecules, 2020, oct, 53, 8562--8569, 19, ACS Publications
          //pubs.acs.org/doi/10.1021/acs.macromol.0c01784
        126. Article: Atomically dispersed Fe-NSC anchored on pomegranate-shaped carbon spheres for oxygen reduction reaction and all-solid-state zinc-air battery
          Jiang, P and Chen, S and Wang, C and Wang, D and Diao, J and Cao, Z and Lin, Z and Luo, Q and Lu, J and Huang, H and others
          Materials Today Sustainability, 2020, 9, 100039, Elsevier
        127. Article: Laboratory formation and photochemistry of covalently bonded polycyclic aromatic nitrogen heterocycle (PANH) clusters in the gas phase
          Yang, Yuanyuan and Hu, Xiaoyi and Zhang, Deping and Zhang, Weiwei and Liu, Guilin and Zhen, Junfeng
          Monthly Notices of the Royal Astronomical Society, 2020, 498, 1--11, 1, Oxford University Press
        128. Article: Electronic and magnetic structure of infinite-layer NdNiO2: trace of antiferromagnetic metal
          Liu, Zhao and Ren, Zhi and Zhu, Wei and Wang, Zhengfei and Yang, Jinlong
          npj Quantum Materials, 2020, 5, 1--8, 1, Nature Publishing Group
        129. Article: Stable diagonal stripes in the t--J model at n?h= 1/8 doping from fPEPS calculations
          Dong, Shao-Jun and Wang, Chao and Han, Yong-Jian and Yang, Chao and He, Lixin
          npj Quantum Materials, 2020, 5, 1--5, 1, Nature Publishing Group
        130. Article: Achieving a robust grassy-ELM operation regime in CFETR
          Zhu, Yi-Ren and Li, Ze-Yu and Chan, VS and Chen, Jia-Le and Jian, Xiang and Dudson, Benjamin Daniel and Garofalo, AM and Snyder, PB and Xu, Xue-Qiao and Zhuang, G and others
          Nuclear Fusion, 2020, 60, 046014, 4, IOP Publishing
        131. Article: Effects of triangularity on the fusion performance of CFETR
          Zhou, Cheng-Xi and Chen, Jia-Le and Chan, VS and Jian, Xiang and Zhuang, G and Zhu, Yi-Ren and others
          Nuclear Fusion, 2020, 60, 096029, 9, IOP Publishing
        132. Article: TSC simulation of vertical position control by the Bang-bang method on EAST
          Guo, Y and Wang, YH and Xiao, BJ and Liu, L and Qiu, QL and Yang, F
          Nuclear Fusion, 2020, 60, 076002, 7, IOP Publishing
        133. Article: Effects of native defects and cerium impurity on the monoclinic BiVO 4 photocatalyst obtained via PBE+ U calculations
          Zhang, Jihua and Chen, Xia and Deng, MingSen and Shen, Hujun and Li, Hang and Ding, Jianwen
          Physical Chemistry Chemical Physics, 2020, 22, 25297--25305, 43, Royal Society of Chemistry
        134. Article: Half-filled intermediate bands in doped inorganic perovskites for solar cells
          Ma, Xinbo and Li, Zhenyu
          Physical Chemistry Chemical Physics, 2020, 22, 23804--23809, 41, Royal Society of Chemistry
        135. Article: Highly efficient heterojunction solar cells enabled by edge-modified tellurene nanoribbons
          Gao, Yunzhi and Wu, Kai and Hu, Wei and Yang, Jinlong
          Physical Chemistry Chemical Physics, 2020, 22, 28414--28422, 48, Royal Society of Chemistry
        136. Article: Intrinsic ferromagnetic semiconductivity realized in a new MoS 2 monolayer
          Deng, Xiaohui and Li, Zhenyu
          Physical Chemistry Chemical Physics, 2020, 22, 13363--13367, 24, Royal Society of Chemistry
        137. Article: Intrinsic ultra-wide completely spin-polarized state realized in a new CrO 2 monolayer
          Deng, Xiaohui and Li, Zhenyu
          Physical Chemistry Chemical Physics, 2020, 22, 17038--17041, 30, Royal Society of Chemistry
        138. Article: Shock-induced ejecta transport and breakup in reactive gas
          Wu, Bao and Wu, FengChao and Wang, Pei and He, AnMin and Wu, HengAn
          Physical Chemistry Chemical Physics, 2020, 22, 14857--14867, 26, Royal Society of Chemistry
        139. Article: Solvent effects on triplet--triplet annihilation upconversion kinetics of perylene with a Bodipy-phenyl-C 60 photosensitizer
          Wei, Yaxiong and Wang, Ye and Zhou, Qiaohui and Zhang, Song and Zhang, Bing and Zhou, Xiaoguo and Liu, Shilin
          Physical Chemistry Chemical Physics, 2020, 22, 26372--26382, 45, Royal Society of Chemistry
        140. Article: Stabilizing the crystal structures of NaFePO 4 with Li substitutions
          Wang, Renhai and Wu, Shunqing and Zhang, Feng and Zhao, Xin and Lin, Zijing and Wang, Cai-Zhuang and Ho, Kai-Ming
          Physical Chemistry Chemical Physics, 2020, 22, 13975--13980, 25, Royal Society of Chemistry
        141. Article: Tunable n-type and p-type doping of two-dimensional layered PdSe 2 via organic molecular adsorption
          Gao, Yunzhi and Liu, Xiaofeng and Hu, Wei and Yang, Jinlong
          Physical Chemistry Chemical Physics, 2020, 22, 12973--12979, 23, Royal Society of Chemistry
        142. Article: Unified and transferable description of dynamics of H 2 dissociative adsorption on multiple copper surfaces via machine learning
          Zhu, Lingjun and Zhang, Yaolong and Zhang, Liang and Zhou, Xueyao and Jiang, Bin
          Physical Chemistry Chemical Physics, 2020, 22, 13958--13964, 25, Royal Society of Chemistry
        143. Article: Elevating the magnetic exchange coupling in the compressed antiferromagnetic axion insulator candidate Eu In 2 As 2
          Yu, FH and Mu, HM and Zhuo, WZ and Wang, ZY and Wang, ZF and Ying, JJ and Chen, XH
          Physical Review B, 2020, 102, 180404, 18, APS
        144. Article: Long-range behavior of a nonlocal correlation-energy density functional based on the random-phase approximation
          Gao, Yuan and Zhu, Wenguang and Ren, Xinguo
          Physical Review B, 2020, 101, 035113, 3, APS
        145. Article: Mesoscopic electronic transport in twisted bilayer graphene
          Han, Yulei and Zeng, Junjie and Ren, Yafei and Dong, Xinlong and Ren, Wei and Qiao, Zhenhua
          Physical Review B, 2020, 101, 235432, 23, APS
        146. Article: Metallic network of topological domain walls
          Hou, Tao and Ren, Yafei and Quan, Yujie and Jung, Jeil and Ren, Wei and Qiao, Zhenhua
          Physical Review B, 2020, 101, 201403, 20, APS
        147. Article: Multiple Majorana edge modes in magnetic topological insulator--superconductor heterostructures
          Li, Qingming and Han, Yulei and Zhang, Kunhua and Zhang, Ying-Tao and Liu, Jian-Jun and Qiao, Zhenhua
          Physical Review B, 2020, 102, 205402, 20, APS
        148. Article: Multiscattering effects in disordered two-dimensional anisotropic Weyl fermions
          Ning, Zhen and Fu, Bo and Shi, Qinwei and Wang, Xiaoping
          Physical Review B, 2020, 102, 134207, 13, APS
        149. Article: Origin of magnetic inhomogeneity in Cr-and V-doped topological insulators
          Qi, Shifei and Liu, Zheng and Chang, Maozhi and Gao, Ruiling and Han, Yulei and Qiao, Zhenhua
          Physical Review B, 2020, 101, 241407, 24, APS
        150. Article: Pursuing the high-temperature quantum anomalous Hall effect in MnBi 2 Te 4/Sb 2 Te 3 heterostructures
          Qi, Shifei and Gao, Ruiling and Chang, Maozhi and Han, Yulei and Qiao, Zhenhua
          Physical Review B, 2020, 101, 014423, 1, APS
        151. Article: First measurements of $chi$ c J→ $Sigma$- $Sigma$=+(J= 0, 1, 2) decays
          Ablikim, M and Achasov, MN and Adlarson, P and Ahmed, S and Albrecht, M and Amoroso, A and An, Q and Bai, Y and Bakina, O and Ferroli, R Baldini and others
          Physical Review D, 2020, 101, 092002, 9, APS
        152. Article: First measurements of $chi$cJ→ $varsigma$-$varsigma$=+(J= 0, 1, 2) decays FIRST MEASUREMENTS of? M. ABLIKIM et al
          Ablikim, M and Achasov, MN and Adlarson, P and Ahmed, S and Albrecht, M and Amoroso, A and An, Q and Bai, Y and Bakina, O and Ferroli, RB and others
          Physical Review D, 2020, 101, 092002--1, 9
        153. Article: First measurements of $chi$cJ→ $varsigma$-$varsigma$=+(J= 0, 1, 2) decays FIRST MEASUREMENTS of? M. ABLIKIM et al.
          BESIII Collaboration and others
          Physical Review D, 2020, 101, 92002, 9, American Physical Society
        154. Article: Measurement of singly Cabibbo-suppressed decays D→ $omega$ $pi$ $pi$
          Ablikim, M and Achasov, MN and Adlarson, P and Ahmed, S and Albrecht, M and Amoroso, A and An, Q and Bai, Y and Bakina, O and Ferroli, R Baldini and others
          Physical Review D, 2020, 102, 052003, 5, APS
        155. Article: Observation of a structure in e+ e-→ $phi$ $eta$′ at s from 2.05 to 3.08 GeV
          Ablikim, M and Achasov, MN and Adlarson, P and Ahmed, S and Albrecht, M and Amoroso, A and An, Q and Bai, Y and Bakina, O and Ferroli, R Baldini and others
          Physical Review D, 2020, 102, 012008, 1, APS
        156. Article: Observation of the Y (4220) and Y (4390) in the process e+ e-→ $eta$ J/$psi$
          Ablikim, Medina and Achasov, MN and Adlarson, P and Ahmed, S and Albrecht, M and Amoroso, A and An, Q and Bai, Y and Bakina, O and Ferroli, R Baldini and others
          Physical Review D, 2020, 102, 031101, 3, APS
        157. Article: Search for the decay J/$psi$→ $gamma$+ invisible
          Ablikim, Medina and Achasov, MN and Adlarson, P and Ahmed, S and Albrecht, M and Amoroso, A and An, Q and Bai, Y and Bakina, O and Ferroli, R Baldini and others
          Physical Review D, 2020, 101, 112005, 11, APS
        158. Article: Study of the process e+ e-→ $pi$ 0 $pi$ 0 J/$psi$ and neutral charmoniumlike state Z c (3900) 0
          Ablikim, M and Achasov, MN and Adlarson, P and Ahmed, S and Albrecht, M and Amoroso, A and An, Q and Bai, Y and Bakina, O and Ferroli, R Baldini and others
          Physical Review D, 2020, 102, 012009, 1, APS
        159. Article: First measurements of chi (cJ)-> Sigma (-)(Sigma) over-bar (+)(J= 0, 1, 2) decays
          BESIII Collaboration and others
          Physical Review D., 2020, Amer Physical Soc.
        160. Article: Measurement of singly Cabibbo-suppressed decays D-> omega pi pi
          BESIII Collaboration and others
          Physical Review D., 2020, Amer Physical Soc.
        161. Article: Search for the decay J/psi-> gamma plus invisible
          BESIII Collaboration and others
          Physical Review D., 2020, Amer Physical Soc.
        162. Article: Study of the process e (+) e (-)-> pi (0) pi (0) J/psi and neutral charmoniumlike state Z (c)(3900)(0)
          BESIII Collaboration and others
          Physical Review D., 2020, Amer Physical Soc.
        163. article: carbon Monoxide oxidation promoted by Surface polarization charges in a cuo/Ag Hybrid catalyst
          Wang, Xijun and Jia, Chuanyi and Sharman, Edward and Zhang, Guozhen and Li, Xin and Jiang, Jun
          Physical Review D., 2020, 10, 1--9, 1, Nature Publishing Group
        164. article: Energetic Metal–Organic Frameworks Derived Highly Nitrogen‐Doped Porous Carbon for Superior Potassium Storage
          Tong, Huigang and Wang, Changlai and Lu, Jian and Chen, Shi and Yang, Kang and Huang, Minxue and Yuan, Qing and Chen, Qianwang
          Physical Review D., 2020, oct, 16, 2002771, 43
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        165. article: Rheological similarities between dense self-propelled and sheared particulate systems
          Mo, Ruoyang and Liao, Qinyi and Xu, Ning
          Physical Review D., 2020, 16, 3642--3648, 15, Royal Society of Chemistry
        166. article: Evaluation of physics-based data assimilation system driven by neutral density data from a single satellite
          Ren, Dexin and Lei, Jiuhou
          Physical Review D., 2020, 18, e2020SW002504, 8, Wiley Online Library
        167. article: A machine learning based deep potential for seeking the low-lying candidates of Al clusters
          Tuo, P and Ye, XB and Pan, BC
          Physical Review D., 2020, 152, 114105, 11, AIP Publishing LLC
        168. article: Flatband in a three-dimensional tungsten nitride compound
          Ye, XB and Tuo, P and Pan, BC
          Physical Review D., 2020, 152, 224503, 22, AIP Publishing LLC
        169. article: Hierarchical equations of motion method based on Fano spectrum decomposition for low temperature environments
          Zhang, Hou-Dao and Cui, Lei and Gong, Hong and Xu, Rui-Xue and Zheng, Xiao and Yan, YiJing
          Physical Review D., 2020, feb, 152, 064107, 6, AIP Publishing LLC
          //aip.scitation.org/doi/10.1063/1.5136093
        170. article: Pivotal electron delivery effect of the cobalt catalyst in photocarboxylation of alkynes: a DFT calculation
          Xu, Yuantai and Shao, Yifan and Ahlquist, Ma?rten SG and Yu, Haizhu and Fu, Yao
          Physical Review D., 2020, 86, 1540--1548, 2, ACS Publications
        171. article: Blue Phosphorus Growth on Different Noble Metal Surfaces: From a 2D Alloy Network to an Extended Monolayer
          Zhao, Songtao and Li, Zhenyu
          Physical Review D., 2020, 125, 675--679, 1, ACS Publications
        172. article: Dynamics of H $_ extrm2$ O Adsorption on Pt(110)-(1 × 2) Based on a Neural Network Potential Energy Surface
          Hu, Ce and Zhang, Yaolong and Jiang, Bin
          Physical Review D., 2020, oct, 124, 23190--23199, 42
          //pubs.acs.org/doi/10.1021/acs.jpcc.0c07182
        173. article: Dynamics of H2O adsorption on Pt (110)-(1$ imes$ 2) based on a neural network potential energy surface
          Hu, Ce and Zhang, Yaolong and Jiang, Bin
          Physical Review D., 2020, 124, 23190--23199, 42, ACS Publications
        174. article: Electronic Structure of LLM-105 Crystal under High Pressure and Low Temperature
          Xu, Zilong and Chen, Qiao and Li, Xiangdong and Wang, Junke and Wang, Xiangqi and Gao, Chan and Dai, Rucheng and Wang, Zhongping and Huang, Shiliang and Liu, Yu and others
          Physical Review D., 2020, 124, 2399--2405, 4, ACS Publications
        175. article: Phase Transition Routes for $varepsilon$-and $gamma$-CL-20 Crystals under High Pressures of up to 60 GPa
          Sun, Xiaoyu and Sui, Zhilei and Wang, Junke and Li, Xiangdong and Wang, Xiangqi and Dai, Rucheng and Wang, Zhongping and Huang, Shiliang and Zhang, Zengming
          Physical Review D., 2020, 124, 5061--5068, 9, ACS Publications
        176. article: Roughness Factor-Dependent Transport Characteristic of Shale Gas through Amorphous Kerogen Nanopores
          Yu, Hao and Xu, HengYu and Fan, JingCun and Wang, FengChao and Wu, HengAn
          Physical Review D., 2020, jun, 124, 12752--12765, 23, ACS Publications
          //pubs.acs.org/doi/10.1021/acs.jpcc.0c02456
        177. article: Theoretical Insights into the Thermodynamics and Kinetics of Graphene Growth on Copper Surfaces
          Li, Pai and Li, Zhenyu
          Physical Review D., 2020, 124, 16233--16247, 30, ACS Publications
        178. article: Accuracy of localized resolution of the identity in periodic hybrid functional calculations with numerical atomic orbitals
          Lin, Peize and Ren, Xinguo and He, Lixin
          Physical Review D., 2020, 11, 3082--3088, 8, ACS Publications
        179. article: Anomalous Octahedron Distortion of Bi-Alloyed Cs2AgInCl6 Crystal via XRD, Raman, Huang--Rhys Factor, and Photoluminescence
          Siddique, Hassan and Xu, Zilong and Li, Xiangdong and Saeed, Sara and Liang, Wentao and Wang, Xiangqi and Gao, Chan and Dai, Rucheng and Wang, Zhongping and Zhang, Zengming
          Physical Review D., 2020, 11, 9572--9578, 22, ACS Publications
        180. article: Atomic origin for hydrogenation promoted bulk oxygen vacancies removal in vanadium dioxide
          Li, Bowen and Hu, Min and Ren, Hui and Hu, Changlong and Li, Liang and Zhang, Guozhen and Jiang, Jun and Zou, Chongwen
          Physical Review D., 2020, 11, 10045--10051, 23, ACS Publications
        181. article: Conformational selection in ligand recognition by the first tudor domain of PHF20L1
          Lv, Mengqi and Gao, Jia and Li, Mingwei and Ma, Rongsheng and Li, Fudong and Liu, Yaqian and Liu, Mingqing and Zhang, Jiahai and Yao, Xuebiao and Wu, Jihui and others
          Physical Review D., 2020, 11, 7932--7938, 18, ACS Publications
        182. article: Enabling efficient charge separation for optoelectronic conversion via an energy-dependent Z-scheme n-semiconductor--metal--p-semiconductor Schottky heterojunction
          Eshete, Mesfin and Yang, Li and Sharman, Edward and Li, Xiyu and Wang, Xijun and Zhang, Guozhen and Jiang, Jun
          Physical Review D., 2020, 11, 3313--3319, 9, ACS Publications
        183. article: Interlayer Polarization Explains Slow Charge Recombination in Two-Dimensional Halide Perovskites by Nonadiabatic Molecular Dynamics Simulation
          Su, Jianfeng and Zheng, Qijing and Shi, Yongliang and Zhao, Jin
          Physical Review D., 2020, 11, 9032--9037, 21, ACS Publications
        184. article: Mechanism Study of Molecular Deformation of 2, 2′, 5′, 2 ″-Tetramethylated p-Terphenyl-4, 4 ″-dithiol Trapped in Gold Junctions
          Zhang, Yujin and Su, Pingping and Mu, Yanqi and Zhang, Guangping and Luo, Yi and Jiang, Jun and Hu, Wei
          Physical Review D., 2020, 11, 4456--4461, 11, ACS Publications
        185. article: Multiphonon Raman Scattering and Strong Electron--Phonon Coupling in 2D Ternary Cu2MoS4 Nanoflakes
          Qin, Liang and Wen, Zhilin and Zhang, Xiaoxian and Zhang, Ke and Lin, Yunxiang and Song, Li and Wu, Xiaojun and Qiu, Xiaohui
          Physical Review D., 2020, 11, 8483--8489, 20, ACS Publications
        186. article: NMR-Derived Conformational Ensemble of State 1 of Activated Ras Reveals Insights into a Druggable Pocket
          Liu, Dan and Chen, Xiaomin and Long, Dong
          Physical Review D., 2020, may, 11, 3642--3646, 9
          //pubs.acs.org/doi/10.1021/acs.jpclett.0c00858
        187. article: On-Surface Synthesis of a Five-Membered Carbon Ring from a Terminal Alkynyl Bromide: A [4+ 1] Annulation
          Wang, Tao and Pan, Yu and Zhang, Wenzhao and Lawrence, James and Mohammed, Mohammed SG and Huang, Jianmin and Feng, Lin and Berdonces-Layunta, Alejandro and Han, Dong and Xu, Qian and others
          Physical Review D., 2020, 11, 5902--5907, 15, ACS Publications
        188. article: One-Dimensional Magnetic Order Stabilized in Edge-Reconstructed MoS2 Nanoribbon via Bias Voltage
          Deng, Xiaohui and Li, Zhenyu and Yang, Jinlong
          Physical Review D., 2020, 11, 7531--7535, 18, ACS Publications
        189. article: Photogenerated-Carrier Separation and Transfer in Two-Dimensional Janus Transition Metal Dichalcogenides and Graphene van der Waals Sandwich Heterojunction Photovoltaic Cells
          Liu, Xiaofeng and Gao, Pengfei and Hu, Wei and Yang, Jinlong
          Physical Review D., 2020, may, 11, 4070--4079, 10, ACS Publications
          //pubs.acs.org/doi/10.1021/acs.jpclett.0c00706
        190. article: Regulation of Electronic Structure of Graphene Nanoribbon by Tuning Long-Range Dopant--Dopant Coupling at Distance of Tens of Nanometers
          Sun, Jiace and Feng, Shuo and Wang, Xijun and Zhang, Guozhen and Luo, Yi and Jiang, Jun
          Physical Review D., 2020, 11, 6907--6913, 16, ACS Publications
        191. article: Synergistic Effect of Surface-Terminated Oxygen Vacancy and Single-Atom Catalysts on Defective MXenes for Efficient Nitrogen Fixation
          Tang, Shaobin and Liu, Tianyong and Dang, Qian and Zhou, Xunhui and Li, Xiaokang and Yang, Tongtong and Luo, Yi and Sharman, Edward and Jiang, Jun
          Physical Review D., 2020, jul, 11, 5051--5058, 13
          //pubs.acs.org/doi/10.1021/acs.jpclett.0c01415
        192. article: Tuning phase transitions in metal oxides by hydrogen doping: A first-principles study
          Wang, Zhaowu and Wang, Xijun and Sharman, Edward and Li, Xiyu and Yang, Li and Zhang, Guozhen and Jiang, Jun
          Physical Review D., 2020, 11, 1075--1080, 3, ACS Publications
        193. article: Tuning the carrier lifetime in black phosphorene through family atom doping
          Guo, Hongli and Chu, Weibin and Zheng, Qijing and Zhao, Jin
          Physical Review D., 2020, 11, 4662--4667, 12, ACS Publications
        194. Article: Hydrogenation-Induced Phase Transition in Atomic-Layered $alpha$-MoCl3 Driven by Laser Illumination in a Moist Atmosphere
          Wang, Zhi and Han, Yulan and Liang, Jing and Huang, Haoliang and Hu, Chuansheng and Liu, Ping and Xiang, Junxiang and Qi, Zeming and Lu, Yalin and Liu, Kaihui and others
          ACS Applied Electronic Materials, 2020, 2, 2678--2684, 8, ACS Publications
        195. Article: Evidence from Ab initio and transport modeling for diffusion-driven zirconium isotopic fractionation in igneous rocks
          Chen, Xi and Wang, Wenzhong and Zhang, Zhe and Nie, Nicole Xike and Dauphas, Nicolas
          ACS Earth and Space Chemistry, 2020, 4, 1572--1595, 9, ACS Publications
        196. Article: The AAngstr"om Exponent and Single-Scattering Albedo of Black Carbon: Effects of Different Coating Materials
          Luo, Jie and Zhang, Yongming and Zhang, Qixing
          Atmosphere, 2020, 11, 1103, 10, MDPI
        197. Article: Discharge simulation and volt-second consumption analysis during ramp-up on the CFETR tokamak
          Liu, Cheng-Yue and Wu, Bin and Qian, Jin-Ping and Li, Guo-Qiang and Hou, Ya-Wei and Wei, Wei and Chen, Mei-Xia and Lei, Ming-Zhun and Guo, Yong
          Chinese Physics B, 2020, 29, 025202, 2, IOP Publishing
        198. Article: Jamming in confined geometry: Criticality of the jamming transition and implications of structural relaxation in confined supercooled liquids
          Liu, Jun and Tong, Hua and Nie, Yunhuan and Xu, Ning
          Chinese Physics B, 2020, 29, 126302, 12, IOP Publishing
        199. Article: Quantum anomalous Hall effect in twisted bilayer graphene quasicrystal
          Li, Zedong and Wang, ZF
          Chinese Physics B, 2020, 29, 107101, 10, IOP Publishing
        200. Article: Platinum doped alkali earth metal oxides as a qubit candidate
          Zhou, Cuiqin and Li, Zhenyu and Yang, Jinlong
          Computational Materials Science, 2020, 181, 109754, Elsevier
        201. Article: Abatement of extitn -Butane by Catalytic Combustion over Co-ZSM-5 Catalysts
          Zhao, Wei and Ruan, Shanshan and Qian, Siyu and Feng, Beibei and Ao, Chengcheng and Wang, Lei and Liu, Fuyi and Zhang, Lidong
          Energy & Fuels, 2020, oct, 34, 12880--12890, 10
          //pubs.acs.org/doi/10.1021/acs.energyfuels.0c02717
        202. Article: Nanoconfined transport characteristic of methane in organic shale nanopores: the applicability of the continuous model
          Yu, Hao and Xu, HengYu and Xia, Jun and Fan, JingCun and Wang, FengChao and Wu, HengAn
          Energy & Fuels, 2020, 34, 9552--9562, 8, ACS Publications
        203. Article: Transport of shale gas in microporous/nanoporous media: molecular to pore-scale simulations
          Yu, Hao and Xu, HengYu and Fan, JingCun and Zhu, Yin-Bo and Wang, FengChao and Wu, HengAn
          Energy & Fuels, 2020, 35, 911--943, 2, ACS Publications
        204. Article: Two-phase transport characteristic of shale gas and water through hydrophilic and hydrophobic nanopores
          Xu, HengYu and Yu, Hao and Fan, JingCun and Zhu, YinBo and Wang, FengChao and Wu, HengAn
          Energy & Fuels, 2020, 34, 4407--4420, 4, ACS Publications
        205. Article: Diagnosis method of thyroid disease combining knowledge graph and deep learning
          Chai, Xuqing
          IEEE Access, 2020, 8, 149787--149795, IEEE
        206. Article: Automated performance modeling of HPC applications using machine learning
          Sun, Jingwei and Sun, Guangzhong and Zhan, Shiyan and Zhang, Jiepeng and Chen, Yong
          IEEE Transactions on Computers, 2020, 69, 749--763, 5, IEEE
        207. Article: Edge effect on interlayer shear in multilayer two-dimensional material assemblies
          He, ZeZhou and Zhu, YinBo and Wu, HengAn
          International Journal of Solids and Structures, 2020, 204, 128--137, Elsevier
        208. Article: Dilute magnetism in Co-doped spinel Mg3Si6As8
          Tuo, P and Pan, BC
          Journal of Applied Physics, 2020, 128, 033908, 3, AIP Publishing LLC
        209. Article: Double-shock-induced spall and recompression processes in copper
          Wang, JiaNan and Wu, FengChao and Wang, Pei and He, AnMin and Wu, HengAn
          Journal of Applied Physics, 2020, 127, 135903, 13, AIP Publishing LLC
        210. Article: Monte Carlo simulation study of electron yields from compound semiconductor materials
          Hussain, A. and Yang, L. H. and Zou, Y. B. and Mao, S. F. and Da, B. and Li, H. M. and Ding, Z. J.
          Journal of Applied Physics, 2020, 128, 015305, 1, AIP Publishing LLC
          //aip.scitation.org/doi/10.1063/5.0012154
        211. Article: Multiple coupled charge layers in electron beam induced charging phenomenon
          Li, C. and Li, H. M. and Ding, Z. J.
          Journal of Applied Physics, 2020, jul, 128, 024902, 2, AIP Publishing LLC
          //aip.scitation.org/doi/10.1063/5.0006488
        212. Article: Theoretical calculations of the mean escape depth of secondary electron emission from compound semiconductor materials
          Hussain, A. and Yang, L. H. and Zou, Y. B. and Mao, S. F. and Da, B. and Li, H. M. and Ding, Z. J.
          Journal of Applied Physics, 2020, mar, 127, 125304, 12, AIP Publishing LLC
          //aip.scitation.org/doi/10.1063/1.5144721
        213. Article: Theoretical search for possible Li–Ni–B crystal structures using an adaptive genetic algorithm
          Wang, Renhai and Sun, Yang and Gvozdetskyi, Volodymyr and Zhao, Xin and Zhang, Feng and Xu, Lin-Han and Zaikina, Julia V. and Lin, Zijing and Wang, Cai-Zhuang and Ho, Kai-Ming
          Journal of Applied Physics, 2020, mar, 127, 094902, 9, AIP Publishing LLC
          //aip.scitation.org/doi/10.1063/1.5138642
        214. Article: Different peak response time of daytime thermospheric neutral species to the 27-day solar EUV flux variations
          Ren, Dexin and Lei, Jiuhou and Wang, Wenbin and Burns, Alan and Luan, Xiaoli and Dou, Xiankang
          Journal of Geophysical Research: Space Physics, 2020, 125, e2020JA027840, 7, Wiley Online Library
        215. Article: The thermal conductivity of defected copper at finite temperatures
          Ye, XB and He, ZH and Pan, BC
          Journal of Materials Science, 2020, 55, 4453--4463, 10, Springer
        216. Article: Multiscale gas transport behavior in heterogeneous shale matrix consisting of organic and inorganic nanopores
          Yu, Hao and Fan, JingCun and Xia, Jun and Liu, He and Wu, HengAn
          Journal of Natural Gas Science and Engineering, 2020, 75, 103139, Elsevier
        217. Article: Theoretical study of electron impact single ionization of neon by multicenter three distorted-wave method at low projectile energy: an overall agreement with experiment
          Gong, Maomao and Wang, Zhenpeng and Li, Xingyu and Zhang, Song Bin and Chen, Xiangjun
          Journal of Physics B: Atomic, Molecular and Optical Physics, 2020, 54, 015206, 1, IOP Publishing
        218. Article: Extended 1D defect induced magnetism in 2D MoS2 crystal
          Zhang, Kai and Pan, Yu and Wang, Lu and Mei, Wai-Ning and Wu, Xiaojun
          Journal of Physics: Condensed Matter, 2020, 32, 215302, 21, IOP Publishing
        219. Article: Light scattering matrix for soot aerosol: Comparisons between experimental measurements and numerical simulations
          Liu, Jia and Zhang, Qixing and Wang, Jinjun and Zhang, Yongming
          Journal of Quantitative Spectroscopy and Radiative Transfer, 2020, 246, 106946, Elsevier
        220. Article: Investigation of attractive interactions in a self-driven unidirectional two-channel model with periodic and open boundaries
          Hao, Qing-Yi and Jiang, Rui and Hu, Mao-Bin and Wu, Chao-Yun and Zhang, Hai and Liu, Bing-Bing and Guo, Ning
          Journal of Statistical Mechanics: Theory and Experiment, 2020, 2020, 083302, 8, IOP Publishing
        221. Article: Band gap engineering of monolayer ZrGeTe4 via strain: A first-principles study
          Adam, Mukhtar Lawan and Moses, Oyawale Adetunji and ur Rehman, Zia and Liu, Zhanfeng and Song, Li and Wu, Xiaojun
          Materials Chemistry and Physics, 2020, 253, 123308, Elsevier
        222. Article: Electrochemical regioselective alkylations of a [60] fulleroindoline with bulky alkyl bromides
          Yang, Yong and Niu, Chuang and Chen, Muqing and Yang, Shangfeng and Wang, Guan-Wu
          Organic & Biomolecular Chemistry, 2020, 18, 4783--4787, 25, Royal Society of Chemistry
        223. Article: Effects of the intrinsic curvature of elastic filaments on the propulsion of a flagellated microrobot
          Liu, Zhaorong and Qin, Fenghua and Zhu, Lailai and Yang, Runhuai and Luo, Xisheng
          Physics of Fluids, 2020, 32, 041902, 4, AIP Publishing LLC
        224. Article: Evaporation-driven liquid flow through nanochannels
          Fan, JingCun and Wu, HengAn and Wang, FengChao
          Physics of Fluids, 2020, 32, 012001, 1, AIP Publishing LLC
        225. Article: Evaporation-driven liquid flow through nanochannels

          Physics of Fluids, 2020, jan, 32, 012001, 1
          //aip.scitation.org/doi/10.1063/1.5137803
        226. Article: Mean velocity and temperature scaling for near-wall turbulence with heat transfer at supercritical pressure

          Physics of Fluids, 2020, may, 32, 055103, 5
          //aip.scitation.org/doi/10.1063/5.0002855
        227. Article: Microscopic Richtmyer--Meshkov instability under strong shock
          Sun, Pengyue and Ding, Juchun and Huang, Shenghong and Luo, Xisheng and Cheng, Wan
          Physics of Fluids, 2020, 32, 024109, 2, AIP Publishing LLC
        228. Article: Low-n global ideal MHD instabilities in the CFETR baseline scenario
          Rui, HAN and Ping, ZHU and Banerjee, Debabrata and Cheng, Shikui and Xingting, YAN and Zheng, Linjin and others
          Plasma Physics and Controlled Fusion, 2020, 62, 085016, 8, IOP Publishing
        229. article: Influence of the Fe-Si-O framework in crystal structure on the phase stability and electrochemical performance of Li2FeSiO4 cathode
          Zheng, Feng and Lin, Qiubao and Wu, Shunqing and Zhu, Zi-zhong
          Plasma Physics and Controlled Fusion, 2020, 356, 115436, Elsevier
        230. article: Atomic structures of V--Ti--O intermixed oxide monolayer on rutile TiO2 (011) substrate predicted by extensive structural search
          Yang, Yang and Ma, Shanshan and Qu, Bingyan and Li, Dongdong and Zhou, Rulong
          Plasma Physics and Controlled Fusion, 2020, 694, 121559, Elsevier
        231. article: Azopyrazole-Based Photoswitchable Anion Receptor for Dihydrogen Phosphate Transport
          Lv, Shasha and Li, Xiyu and Yang, Li and Wang, Xijun and Zhang, Jinxiao and Zhang, Guozhen and Jiang, Jun
          Plasma Physics and Controlled Fusion, 2020, 124, 9692--9697, 47, ACS Publications
        232. article: Electron Momentum Spectroscopy Study on the Valence Electronic Structure of Dimethyl Sulfide Considering Vibrational Effects
          Liu, ZhaoHui and Tang, YaGuo and Niu, ShanShan and Shan, Xu and Xu, ChunKai and Chen, XiangJun
          Plasma Physics and Controlled Fusion, 2020, 124, 8551--8561, 41, ACS Publications
        233. article: Interpolative separable density fitting decomposition for accelerating Hartree--Fock exchange calculations within numerical atomic orbitals
          Qin, Xinming and Liu, Jie and Hu, Wei and Yang, Jinlong
          Plasma Physics and Controlled Fusion, 2020, 124, 5664--5674, 27, ACS Publications
        234. article: Machine learning K-means clustering algorithm for interpolative separable density fitting to accelerate hybrid functional calculations with numerical atomic orbitals
          Qin, Xinming and Li, Jielan and Hu, Wei and Yang, Jinlong
          Plasma Physics and Controlled Fusion, 2020, 124, 10066--10074, 48, ACS Publications
        235. article: Molecular Mechanisms and Atmospheric Implications of Criegee Intermediate--Alcohol Chemistry in the Gas Phase and Aqueous Surface Environments
          Tang, Bo and Li, Zhenyu
          Plasma Physics and Controlled Fusion, 2020, 124, 8585--8593, 41, ACS Publications
        236. article: Using Machine Learning to Predict the Dissociation Energy of Organic Carbonyls
          Yu, Haishan and Wang, Ying and Wang, Xijun and Zhang, Jinxiao and Ye, Sheng and Huang, Yan and Luo, Yi and Sharman, Edward and Chen, Shilu and Jiang, Jun
          Plasma Physics and Controlled Fusion, 2020, may, 124, 3844--3850, 19, ACS Publications
          //pubs.acs.org/doi/abs/10.1021/acs.jpca.0c01280
        237. article: Aggregation-Induced Intersystem Crossing: Rational Design for Phosphorescence Manipulation
          Zhang, Jinxiao and Mukamel, Shaul and Jiang, Jun
          Plasma Physics and Controlled Fusion, 2020, mar, 124, 2238--2244, 11, ACS Publications
          //pubs.acs.org/doi/10.1021/acs.jpcb.0c00654
        238. article: Efficient and Accurate Simulations of Vibrational and Electronic Spectra with Symmetry-Preserving Neural Network Models for Tensorial Properties
          Zhang, Yaolong and Ye, Sheng and Zhang, Jinxiao and Hu, Ce and Jiang, Jun and Jiang, Bin
          Plasma Physics and Controlled Fusion, 2020, aug, 124, 7284--7290, 33, ACS Publications
          //pubs.acs.org/doi/10.1021/acs.jpcb.0c06926
        239. Article: Theoretical investigation of spin-crossover temperature and transport properties of two Fe (II) mononuclear complexes
          Huang, Jing and Xie, Rong and Hu, Yujie and Lei, Shulai and Li, Qunxiang
          Chemical Physics Letters, 2020, 758, 137925, Elsevier
        240. Article: Investigation of vacuum ultraviolet photoionization of methylcyclohexane in energy region of 9- 15.5 eV
          Zhang, Hang and Li, Yan-bo and Zhu, Long and Chen, Jun and Yu, Ye-peng and Li, Zhao-hui and Lin, Xuan and Shan, Xiao-bin and Liu, Fu-yi and Sheng, Liu-si
          Chinese Journal of Chemical Physics, 2020, 33, 296--302, 3, Chinese Physical Society
        241. Article: Two-dimensional GaTe/Bi2Se3 heterostructure: A promising direct Z-scheme water splitting photocatalyst
          Tian, Shu-min and Meng, Jie and Huang, Jing and Li, Qun-xiang
          Chinese Journal of Chemical Physics, 2020, 33, 427--433, 4, Chinese Physical Society
        242. Article: Simulation study of evolution of helium induced defects in bulk tungsten
          Ye, Minyou and Zhan, Jie and Mao, Shifeng and Liu, Zhe and Ding, Yingmei
          Fusion Engineering and Design, 2020, 158, 111864, Elsevier
        243. Article: Achieving indirect-to-direct band gap transition and enhanced photocatalytic performance in blue phosphorene through doping and strain
          Wang, Jiajun and Li, Shengcai and Yun, Fengyi and Zhang, Xin and Li, Qunxiang
          International Journal of Quantum Chemistry, 2020, 120, e26230, 13, Wiley Online Library
        244. article: Monte Carlo simulation study of reflection electron energy loss spectroscopy of an Fe/Si overlayer sample
          Da, Bo and Yang, Lihao and Liu, Jiangwei and Li, Yonggang and Mao, Shifeng and Ding, Zejun
          International Journal of Quantum Chemistry, 2020, 52, 742--754, 11, Wiley Online Library
        245. article: A Monte Carlo calculation of the secondary electron emission in the backward direction from a SiO2 macro-capillary
          Li, Chao and THok'esi, K'aroly and Repetto, Luca and Xiao, Liye and Liu, Junbiao and Gao, Zhaoshun and Han, Li and Da, Bo and Bereczky, R'eka Judit and Ding, Zejun
          International Journal of Quantum Chemistry, 2020, 74, 1--7, 2, Springer
        246. Article: AI-based Spectroscopic Monitoring of
          Zhang, Guozhen and Jiang, Jun
          , 2020
        247. InProceedings: An active learning method for empirical modeling in performance tuning
          Zhang, Jiepeng and Sun, Jingwei and Zhou, Wenju and Sun, Guangzhong
          2020 IEEE International Parallel and Distributed Processing Symposium (IPDPS), 2020, 244--253, IEEE
        248. Article: Edge-plane exposed N-doped carbon nanofibers toward fast K-ion adsorption/diffusion kinetics for K-ion capacitors
          Yi, Zheng and Jiang, Song and Qian, Yong and Tian, Jie and Lin, Ning and Qian, Yitai
          CCS Chemistry, 2020, 2, 495--506, 4, Chinese Chemical Society Zhongguancun, Haidian, Beijing 100190, China
        249. Article: Steric hindrance effect in high-temperature reactions
          Zeng, Xiongzhi and Qiu, Zongyang and Li, Pai and Li, Zhenyu and Yang, Jinlong
          CCS Chemistry, 2020, 2, 460--467, 6, Chinese Chemical Society Zhongguancun, Haidian, Beijing 100190, China
        250. Article: Unit cell consistency of maximally localized Wannier functions
          Yang, Xiaolong and He, Zhouyi and Zheng, Xiao
          Electronic Structure, 2020, 2, 014001, 1, IOP Publishing

        2019年:290篇

        1. Article: Cobalt–Salen-Based Porous Ionic Polymer: The Role of Valence on Cooperative Conversion of CO2 to Cyclic Carbonate
          江俊等
          ACS Appl. Mater. Interfaces, 2019
        2. Article: Achieving a High Thermoelectric Performance of Tetrahedrites by Adjusting the Electronic Density of States and Enhancing Phonon Scattering
          徐瑞雪等
          ACS Appl. Mater. Interfaces 2019, 11, 26, 23361-23371, 2019
        3. Article: Postsynthetic Ligand Exchange of Metal–Organic Framework for Photodynamic Therapy
          Zhao, Xueyan and Zhang, Zhixiang and Cai, Xuechao and Ding, Binbin and Sun, Chunqiang and Liu, Guofeng and Hu, Chunling and Shao, Shuai and Pang, Maolin
          ACS applied materials & interfaces, 2019, 11, 7884--7892, 8
        4. Article: Superstrong Noncovalent Interface between Melamine and Graphene Oxide
          吳恒安等
          ACS Applied materials & Interfaces, 2019
        5. Article: Deep Reconstruction of Nickel-Based Precatalysts for Water Oxidation Catalysis
          Liu, Xiong and Ni, Kun and Wen, Bo and Guo, Ruiting and Niu, Chaojiang and Meng, Jiashen and Li, Qi and Wu, Peijie and Zhu, Yanwu and Wu, Xiaojun
          ACS Energy Letters, 2019, 4, 2585--2592, 11
        6. Article: Increasing Photothermal Efficacy by Simultaneous Intra-and Intermolecular Fluorescence Quenching
          Du, Wei and Chong, Yuanyuan and Hu, Xiaomu and Wang, Yanfang and Zhu, Yu and Chen, Jihua and Li, Xiaoxia and Zhang, Qun and Wang, Guangfeng and Jiang, Jun
          Advanced Functional Materials, 2019
        7. Article: Natural Vermiculite Enables High-Performance in Lithium–Sulfur Batteries via Electrical Double Layer Effects
          Wu, Feixiang and Lv, Haifeng and Chen, Shuangqiang and Lorger, Simon and Srot, Vesna and Oschatz, Martin and van Aken, Peter A. and Wu, Xiaojun and Maier, Joachim and Yu, Yan
          Advanced Functional Materials, 2019, 1902820
        8. Article: Oxygen/Fluorine Dual-Doped Porous Carbon Nanopolyhedra Enabled Ultrafast and Highly Stable Potassium Storage
          Lu, Jian and Wang, Changlai and Yu, Haolei and Gong, Shipeng and Xia, Guoliang and Jiang, Peng and Xu, Pengping and Yang, Kang and Chen, Qianwang
          Advanced Functional Materials, 2019
        9. Article: Boosting Water Dissociation Kinetics on Pt–Ni Nanowires by N-Induced Orbital Tuning
          Xie, Yufang and Cai, Jinyan and Wu, Yishang and Zang, Yipeng and Zheng, Xusheng and Ye, Jian and Cui, Peixin and Niu, Shuwen and Liu, Yun and Zhu, Junfa
          Advanced Materials, 2019, 31, 1807780, 16
        10. Article: Tracking Structural Self‐Reconstruction and Identifying True Active Sites toward Cobalt Oxychloride Precatalyst of Oxygen Evolution Reaction
          江俊等
          Advanced Materials, 2019
        11. Article: Scaled-Up Synthesis of Amorphous NiFeMo Oxides and Their Rapid Surface Reconstruction for Superior Oxygen Evolution Catalysis
          徐瑞雪等
          Angew. Chem. Int. Ed., 2019
        12. Article: Computationally Driven Discovery of a Family of Layered LiNiB Polymorphs
          Gvozdetskyi, Volodymyr and Bhaskar, Gourab and Batuk, Maria and Zhao, Xin and Wang, Renhai and Carnahan, Scott L. and Hanrahan, Michael P. and Ribeiro, Raquel A. and Canfield, Paul C. and Rossini, Aaron J.
          Angewandte Chemie, 2019, 131, 16002--16009, 44
        13. Article: Boosting Electrocatalytic Hydrogen Evolution over Metal–Organic Frameworks by Plasmon-Induced Hot-Electron Injection
          江海龍等
          Angewandte Chemie International Edition, 2019
        14. Article: Dual Graphitic-N Doping in a Six-Membered C-Ring of Graphene-Analogous Particles Enables an Efficient Electrocatalyst for the Hydrogen Evolution Reaction
          Lin, Zhiyu and Yang, Yang and Li, Mengsi and Huang, Hao and Hu, Wei and Cheng, Ling and Yan, Wensheng and Yu, Zhiwu and Mao, Kaitian and Xia, Guoliang
          Angewandte Chemie International Edition, 2019
        15. Article: Electron–Proton Co‐doping‐Induced Metal–Insulator Transition in VO2 Film via Surface Self‐Assembled l‐Ascorbic Acid Molecules
          江俊等
          Angewandte Chemie International Edition, 2019
        16. Article: Endowing g-C3N4 Membranes with Superior Permeability and Stability by Using Acid Spacers
          Ran, Jin and Pan, Ting and Wu, Yuying and Chu, Chengquan and Cui, Peng and Zhang, Pengpeng and Ai, Xinyu and Fu, Cen-Feng and Yang, Zhengjin and Xu, Tongwen
          Angewandte Chemie International Edition, 2019
        17. Article: Pothole-rich Ultrathin WO3 Nanosheets that Trigger N$ extbackslashequiv$ N Bond Activation of Nitrogen for Direct Nitrate Photosynthesis
          Liu, Youwen and Cheng, Ming and He, Zhihai and Gu, Bingchuan and Xiao, Chong and Zhou, Tengfei and Guo, Zaiping and Liu, Jiandang and He, Haiyan and Ye, Bangjiao
          Angewandte Chemie International Edition, 2019, 58, 731--735, 3
        18. Article: Regulating the Coordination Environment of MOF‐Templated Single‐Atom Nickel Electrocatalysts for Boosting CO2 Reduction
          江海龍等
          Angewandte Chemie International Edition, 2019
        19. Article: Improving electrocatalytic activity of iridium for hydrogen evolution at high current densities above 1000 mA cm- 2
          Jiang, Peng and Huang, Hao and Diao, Jiefeng and Gong, Shipeng and Chen, Shi and Lu, Jian and Wang, Changlai and Sun, Zhijuan and Xia, Guoliang and Yang, Kang
          Applied Catalysis B: Environmental, 2019, 258, 117965
        20. Article: Metal-enhanced hydrogenation of graphene with atomic pattern
          Wang, Xijun and Zhang, Guozhen and Wang, Zhaowu and Yang, Li and Li, Xiyu and Jiang, Jun and Luo, Yi
          Carbon, 2019, 143, 700--705
        21. Article: The morphological transformation of carbon materials from nanospheres to graphene nanoflakes by thermal plasmas
          Chen, Xianhui and Wang, Cheng and Song, Ming and Ma, Jing and Ye, Taohong and Xia, Weidong
          Carbon, 2019, 155, 521--530
        22. Article: Precisely Tuning the Number of Fe Atoms in Clusters on N-Doped Carbon toward Acidic Oxygen Reduction Reaction
          江俊等
          Chem, 2019
        23. Article: Template-free synthesis and metalation of hierarchical covalent organic framework spheres for photothermal therapy
          Shi, Yanshu and Liu, Sainan and Zhang, Zhixiang and Liu, Ying and Pang, Maolin
          Chemical Communications, 2019
        24. Article: Hot-electron effects during reactive scattering of H 2 from Ag (111): the interplay between mode-specific electronic friction and the potential energy landscape
          Zhang, Yaolong and Maurer, Reinhard J. and Guo, Hua and Jiang, Bin
          Chemical science, 2019, 10, 1089--1097, 4
        25. Article: Constraining olivine abundance and water content of the mantle at the 410-km discontinuity from the elasticity of olivine and wadsleyite
          Wang, Wenzhong and Walter, Michael J. and Peng, Ye and Redfern, Simon and Wu, Zhongqing
          Earth and Planetary Science Letters, 2019, 519, 1--11
        26. Article: Elasticity of akimotoite under the mantle conditions: Implications for multiple discontinuities and seismic anisotropies at the depth of ~600–750 km in subduction zones
          吳忠慶等
          Earth and Planetary Science Letters, 2019
        27. Article: First-principles calculations of equilibrium Ca isotope fractionation: Implications for oldhamite formation and evolution of lunar magma ocean
          Huang, Fang and Zhou, Chen and Wang, Wenzhong and Kang, Jinting and Wu, Zhongqing
          Earth and Planetary Science Letters, 2019, 510, 153--160
        28. Article: Evaluation of solar brightness distribution models for performance simulation and optimization of solar dish
          Sun, Lulening and Zong, Chenggang and Yu, Liang and Huang, Weidong
          Energy, 2019, 180, 192--205
        29. Article: High-purity Pyrrole-type FeN4 Site as Superior Oxygen Reduction Electrocatalyst
          Zhang, Nan and Zhou, Tianpei and Chen, Minglong and Feng, Hu and Yuan, Ruilin and Yan, Wensheng and Tian, Yang-Chao and Wu, Xiaojun and Chu, Wangsheng and Wu, Changzheng
          Energy & Environmental Science, 2019
        30. Article: PIRCh-seq: functional classification of non-coding RNAs associated with distinct histone modifications
          瞿昆等
          Genome Biology, 2019
        31. Article: Diffusion coefficients of Mg isotopes in MgSiO3 and Mg2SiO4 melts calculated by first-principles molecular dynamics simulations
          何力新等
          Geochimica et Cosmochimica Acta, 2019
        32. Article: Equilibrium inter-mineral titanium isotope fractionation: Implication for high-temperature titanium isotope geochemistry
          Wang, Wenzhong and Huang, Shichun and Huang, Fang and Zhao, Xinmiao and Wu, Zhongqing
          Geochimica et Cosmochimica Acta, 2019
        33. Article: Equilibrium Mg isotope fractionation among aqueous Mg2+, carbonates, brucite and lizardite: Insights from first-principles molecular dynamics simulations
          Wang, Wenzhong and Zhou, Chen and Liu, Yun and Wu, Zhongqing and Huang, Fang
          Geochimica et Cosmochimica Acta, 2019, 250, 117--129
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        35. Article: First-principles investigation of the concentration effect on equilibrium fractionation of K isotopes in feldspars
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          Geophysical Research Letters, 2019
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          J. Am. Chem. Soc., 2019
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        40. Article: Structural Origin of Blue Luminescence in Ce-doped Ba2Y5B5O17 and Ba3Y2B6O15 with Multiple Cation Sites and Occupational Disorder
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          Journal of Alloys and Compounds, 2019
        41. Article: Two-dimensional blue-phosphorene-phase germanium monochalcogenide photocatalysts for water splitting: From ultraviolet to visible absorption
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        42. Article: A novel cobalt-free cathode with triple-conduction for proton-conducting solid oxide fuel cells with unprecedented performance
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        45. Article: Energy level engineering in transition-metal doped spinel-structured nanosheets for efficient overall water splitting
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        46. Article: Graphene―Boron Nitride Hybrid Supported Single Mo Atom Electrocatalysts for Efficient Nitrogen Reduction Reaction
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        47. Article: Isolating hydrogen from oxygen in photocatalytic water splitting with a carbon-quantum-dot/carbon-nitride hybrid
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        48. Article: Manipulating the water dissociation kinetics of Ni 3 N nanosheets via in situ interfacial engineering
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        49. Article: Modulating charge transfer dynamics for g-C3N4 through a dimension and interface engineered transition metal phosphide co-catalyst for efficient visible-light photocatalytic hydrogen generation?
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          Journal of Materials Chemistry A, 2019
        50. Article: Nitrogen/oxygen co-doped mesoporous carbon octahedrons for high-performance potassium-ion batteries
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        51. Article: Non-covalent cross-linking to boost the stability and permeability of graphene-oxide-based membranes
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        52. Article: O Species Decorated Graphene Shell Encapsulating Iridium-Nickel alloy as Efficient Electrocatalysts towards Hydrogen Evolution Reaction
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        53. Article: Single nickel atom supported on hybridized graphene–boron nitride nanosheet as a highly active bi-functional electrocatalyst for hydrogen and oxygen evolution reactions
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          Journal of Materials Chemistry A, 2019
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          Chen, Zhuo and Xu, Linhan and Chen, Qiang and Hu, Ping and Liu, Zhenhui and Yu, Qiang and Zhu, Ting and Liu, Huancheng and Hu, Guangwu and Zhu, Zizhong
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        56. Article: Sr 2 Fe 1.4 Mn 0.1 Mo 0.5 O 6- δ perovskite cathode for highly efficient CO 2 electrolysis
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        57. Article: Tuning the activity of N-doped carbon for CO 2 reduction via in situ encapsulation of nickel nanoparticles into nano-hybrid carbon substrates
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        58. Article: Stabilities, and electronic and piezoelectric properties of two-dimensional tin dichalcogenide derived Janus monolayers
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        59. Article: Understanding the blue-emitting orthoborate phosphor NaBaBO3:Ce3+ through experiment and computation
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          Journal of Materials Chemistry C, 2019
        60. Article: Cobalt in Nitrogen-Doped Graphene as Single-Atom Catalyst for High-Sulfur Content Lithium–Sulfur Batteries
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        61. Article: Highly Active and Stable Metal Single-Atom Catalysts Achieved by Strong Electronic Metal–Support Interactions
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          Nano Energy, 2019
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        65. Article: Three-Dimensional Ordered Macroporous Metal–Organic Framework Single Crystal-Derived Nitrogen-Doped Hierarchical Porous Carbon for High-Performance Potassium-Ion Batteries
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        75. Article: Dynamic oxygen adsorption on single-atomic Ruthenium catalyst with high performance for acidic oxygen evolution reaction
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        76. Article: Optimizing reaction paths for methanol synthesis from CO 2 hydrogenation via metal-ligand cooperativity
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          nature communications, 2019
        78. Article: Quasi Pd 1 Ni single-atom surface alloy catalyst enables hydrogenation of nitriles to secondary amines
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        80. Article: Regioselective radical α-borylation of α, β-unsaturated carbonyl compounds for direct synthesis of α-borylcarbonyl molecules
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          NATURE COMMUNICATIONS, 2019
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          Org. Lett., 2019
        84. Article: Efficient Vibrational Energy Redistribution between Stretching Modes: State-to-State Quantum Scattering of H 2 O from Cu (111)
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        92. Article: Revealing Charge-and Temperature-Dependent Movement Dynamics and Mechanism of Individual Molecular Machines
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        94. Article: Embedded Atom Neural Network Potentials: Efficient and Accurate Machine Learning with a Physically Inspired Representation
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        95. Article: Energy-Dependent Z-Scheme via Metal-Interfacing Two-Dimensional p-Type and n-Type Semiconductor Layers for Efficient Optoelectronic Conversion
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        96. Article: Modulating Electron Transfer in an Organic Reaction via Chemical Group Modification of the Photocatalyst
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        97. Article: Mono-Elemental Properties of 2D Black Phosphorus Ensure Extended Charge Carrier Lifetimes under Oxidation: Time-Domain Ab Initio Analysis
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          THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2019
        99. Article: Physically Close Yet Chemically Separate Reduction and Oxidation Sites in Double-Walled Nanotubes for Photocatalytic Hydrogen Generation
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        100. Article: Pressure-Dependent Kinetics of the Reaction between CH3OO and OH Focusing on the Product Yield of Methyltrioxide (CH3OOOH)
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        102. Article: Protecting Single Atom Catalysts with Graphene/Carbon-Nitride “Chainmail”
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        104. Article: Room-Temperature Ferromagnetism in Transition Metal Embedded Borophene Nanosheets
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        105. Article: The Contribution of Backbone Electrostatic Repulsion to DNA Mechanical Properties is Length-Scale-Dependent
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        106. Article: Toward Room-Temperature Magnetic Semiconductors in Two-Dimensional Ferrimagnetic Organometallic Lattices
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        107. Article: Uptake, accumulation and metabolization of 1-butyl-3-methylimidazolium bromide by ryegrass from water: Prospects for phytoremediation
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        111. Article: Mott-Schottky Effect Leads to Alkynes Semi-Hydrogenation over Pd-Nanocubes@ N-Doped Carbon
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        112. Article: Single Mo1 (Cr1) Atom on Nitrogen-Doped Graphene Enables Highly Selective Electroreduction of Nitrogen into Ammonia
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        113. Article: Engineering the In-Plane Structure of Metallic Phase Molybdenum Disulfide via Co and O Dopants toward Efficient Alkaline Hydrogen Evolution
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        114. Article: Silver Nanoparticles Encapsulated in an N-Doped Porous Carbon Matrix as High-Active Catalysts toward Oxygen Reduction Reaction via Electron Transfer to Outer Graphene Shells
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        115. Article: Ultrasonic-Assisted Synthesis of Amorphous Polyelemental Hollow Nanoparticles as Efficient and Stable Bifunctional Electrocatalysts for Overall Water Splitting
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        116. Article: Direct β-Selective Styrylation of BODIPY Dyes via Palladium (II)-Catalyzed C- H Functionalization
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        117. Article: Theoretical prediction of a highly responsive material: Spin fluctuations and superconductivity in FeNiB2 system
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          Biophysical Journal, 2019
        120. Article: Powerful CO2 electroreduction performance with N-carbon doped by Ni single atoms
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        132. Article: Universal conductance fluctuations in Sierpinski carpets
          Han, Yu-Lei and Qiao, Zhen-Hua
          Frontiers of Physics, 2019, 14, 63603, 6
        133. Article: Numerical simulation of the effects of evaporation on the n-heptane/air auto-ignition process under different initial air temperatures
          Wu, Yuyang and Zhu, Minming and Ye, Taohong and Zhou, Taotao and Tang, Peng
          Fuel, 2019, 243, 202--209
        134. Article: 110th Anniversary: Unleashing the Full Potential of Quinones for High Performance Aqueous Organic Flow Battery
          Sun, Pan and Liu, Yahua and Li, Yuanyuan and Shehzad, Muhammad A. and Liu, Yazhi and Zuo, Peipei and Chen, Qianru and Yang, Zhengjin and Xu, Tongwen
          Industrial & Engineering Chemistry Research, 2019, 58, 3994--3999, 10
        135. Article: Activating Graphyne Nanosheet via sp-Hybridized Boron Modulation for Electrochemical Nitrogen Fixation
          Liu, Qilong and Wang, Sini and Chen, Guilin and Liu, Qiangchun and Kong, Xiangkai
          Inorganic chemistry, 2019, 58, 11843--11849, 17
        136. Article: Holey Ruthenium Nanosheets with Moderate Aluminum Modulation toward Hydrogen Evolution
          Zhang, Hang and Liu, Qilong and Xu, Jie and Wei, Lingzhi and Liu, Qiangchun and Kong, Xiangkai
          Inorganic chemistry, 2019
        137. Article: The Enhancement of the Catalytic Oxidation of CO on Ir/CeO2 Nanojunctions
          Zong, Cichang and Wang, Changlai and Hu, Lin and Zhang, Ruirui and Jiang, Peng and Chen, Jing and Wei, Lingzhi and Chen, Qianwang
          Inorganic Chemistry, 2019, 58, 14238--14243, 20
        138. Article: A novel anions and cations co-doped strategy for developing high-performance cobalt-free cathode for intermediate-temperature proton-conducting solid oxide fuel cells
          Liu, Jingjing and Jin, Zongzi and Miao, Lina and Ding, Jinwen and Tang, Haidi and Gong, Zheng and Peng, Ranran and Liu, Wei
          International Journal of Hydrogen Energy, 2019, 44, 11079--11087, 21
        139. Article: Analysis of heat transfer of supercritical water by direct numerical simulation of heated upward pipe flows
          Liu, Jiaming and Jin, Yixuan and Zhao, Pinghui and Ge, Zhihao and Li, Yuanjie and Wan, Yuanxi
          International Journal of Thermal Sciences, 2019, 138, 206--218
        140. Article: Highly efficient and accurate sum-overpoles expansion of Fermi and Bose functions at near zero temperatures: Fano spectrum decomposition scheme
          徐瑞雪等
          J. Chem. Phys, 2019
        141. Article: A density functional study on geometries, electronic and photo sensitized surface properties of the fullerene-like BGe nanomaterials
          Zhao, Run-Ning and Chen, Rui and Han, Ju-Guang
          Journal of Alloys and Compounds, 2019, 152686
        142. Article: New compounds Mg3IV6V8 (IV= Si, Ge, Sn; V= P, As, Sb) and their potential application to photovoltaic materials
          Tuo, P. and Pan, B. C.
          Journal of Alloys and Compounds, 2019, 786, 434--439
        143. Article: Backmapping from Multiresolution Coarse-Grained Models to Atomic Structures of Large Biomolecules by Restrained Molecular Dynamics Simulations Using Bayesian Inference
          Peng, Junhui and Yuan, Chuang and Ma, Rongsheng and Zhang, Zhiyong
          Journal of chemical theory and computation, 2019, 15, 3344--3353, 5
        144. Article: Insights into the crystal size and morphology of photocatalysts
          Chen, Ke and Fan, Qiaohui and Chen, Changlun and Chen, Zhongshan and Alsaedi, Ahmed and Hayat, Tasawar
          Journal of colloid and interface science, 2019, 538, 638--647
        145. Article: Optical modeling of black carbon with different coating materials: The effect of coating configurations
          Luo, Jie and Zhang, Qixing and Luo, Jianfei and Liu, Jia and Huo, Yinuo and Zhang, Yongming
          Journal of Geophysical Research: Atmospheres, 2019
        146. Article: Thermodynamic and elastic properties of grossular at high pressures and high temperatures: A first-principles study
          Duan, Longyu and Wang, Wenzhong and Wu, Zhongqing and Qian, Wangsheng
          Journal of Geophysical Research: Solid Earth, 2019
        147. Article: Site occupation and 4f→ 5d transitions of Ce3+ ions at mixed Ca2+/Y3+ sites in CaYAlO4: Insights from first-principles calculations
          Wen, Jun and Jiang, Guisheng and Zhong, Jiyou and Zhang, Qingping and He, Enjie and Ning, Lixin and Duan, Chang-Kui
          Journal of Luminescence, 2019, 216, 116726
        148. Article: CO2 Activation and Reduction on Pt-CeO2-Based Catalysts
          武曉君等
          Journal of Physical Chemistry C, 2019
        149. Article: Multiple steady state co-rotating dust vortices in streaming plasma
          Laishram, Modhuchandra and Sharma, Devendra and Zhu, Ping
          Journal of Physics D: Applied Physics, 2019, 53, 025204, 2
        150. Article: Optimization design on simultaneously strengthening and toughening graphene-based nacre-like materials through noncovalent interaction
          He, ZeZhou and Zhu, YinBo and Xia, Jun and Wu, HengAn
          Journal of the Mechanics and Physics of Solids, 2019, 133, 103706
        151. Article: Molecular mechanism of heterogeneous supramolecular catalysis of metal-free cucurbituril solid for epoxide alcoholysis
          Xu, Lina and Fang, Guoyong and Yu, Yanghong and Ma, Yuefan and Ye, Zihang and Li, Zhenyu
          Molecular Catalysis, 2019, 467, 1--8
        152. Article: Magnetic Field Independent Shape of the Zero-Energy Landau Levels in a Disordered T3 Model
          Chen, Weiwei and Li, Qunxiang and Shi, Qinwei
          New Journal of Physics, 2019
        153. Article: Simulation Study of the Impurity Radiation in the Quasi-Snowflake Divertor with Ar Seeding for CFETR
          Ye, Minyou and Mao, Shifeng and Luo, Zhengping
          Nuclear Fusion, 2019
        154. Article: Validation of Alfvén eigenmode simulations on DIII-D and projection for CFETR scenario
          Zou, Yunpeng and Chan, Vincent S. and Huang, Juan and Collins, C. S. and Garofalo, A. M. and Guo, W. F. and Ye, Minyou
          Nuclear Fusion, 2019, 59, 066005, 6
        155. Article: The Synthesis of Chiral Ag4Pd2 (SR) 8 by Nonreplaced Galvanic Reaction
          Liu, Xu and Yuan, Jinyun and Chen, Jishi and Yang, Jinlong and Wu, Zhikun
          Particle & Particle Systems Characterization, 2019, 1900003
        156. Article: A comprehensive study of the red persistent luminescence mechanism of Y 2 O 2 S: Eu, Ti, Mg
          Qu, Bingyan and Wang, Juntao and Liu, Kai and Zhou, Rulong and Wang, Lei
          Physical Chemistry Chemical Physics, 2019, 21, 25118--25125, 45
        157. Article: A theoretical study of the geometries, and electronic and surface properties of sphere-like (SiB) 2n (n= 6–27, 30) functional nanomaterials
          Zhao, Run-Ning and Lu, Zi-Chen and Chen, Rui and Han, Ju-Guang
          Physical Chemistry Chemical Physics, 2019, 21, 25302--25310, 45
        158. Article: Chemical Doping of SnSe Monolayer: A First-principles Calculation
          Zhou, Tao and Du, Jinyan and Wang, Chan and Huang, Yucheng
          Physical Chemistry Chemical Physics, 2019
        159. Article: Competition between dispersion interactions and conventional hydrogen bonding: insights from a theoretical study on Z-Arg-OH
          Li, Hongbao and Wang, Zhiqiang and Jiang, Jun and Luo, Yi
          Physical Chemistry Chemical Physics, 2019, 21, 17893--17900, 32
        160. Article: First-principles study of intrinsic point defects in MgSiAs 2
          Tuo, Ping and Pan, B. C.
          Physical Chemistry Chemical Physics, 2019, 21, 5295--5304, 9
        161. Article: Photoswitchable de/adsorption of an azobenzene-derived surfactant on a silica surface
          Wu, Ziye and Li, Xin and Jiang, Xiaoming and Xie, Tian and Li, Huiyong and Zhang, Guozhen and Jiang, Jun
          Physical Chemistry Chemical Physics, 2019, 21, 21030--21037, 37
        162. Article: Reaction mechanism between small-sized Ce clusters and water molecules II: an ab initio investigation on Ce n (n= 1–3)+ m H 2 O (m= 2–6)
          Zhou, Rulong and Ma, Shanshan and Yang, Yang and Li, Dongdong and Qu, Bingyan and Zeng, Xiao Cheng
          Physical Chemistry Chemical Physics, 2019, 21, 8945--8955, 17
        163. Article: Reaction mechanism between small-sized Ce clusters and water molecules: an ab initio investigation on Ce n+ H 2 O
          Zhou, Rulong and Yang, Yang and Pande, Seema and Qu, Bingyan and Li, Dongdong and Zeng, Xiao Cheng
          Physical Chemistry Chemical Physics, 2019, 21, 4006--4014, 7
        164. Article: Spin transport properties of 1, 4, 5, 8-naphthalenetetracarboxylic dianhydride based molecular devices
          Wang, Wenjing and Gao, Denglei and Huang, Yucheng and Zhou, Tao and Wang, Sufan
          Physical Chemistry Chemical Physics, 2019
        165. Article: Structural origin of the high glass-forming ability of Ce 70 Ga 10 Cu 20 alloys
          Chen, Heng and Li, Dongdong and Zhao, Yong and Qu, Bingyan and Zhou, Rulong and Zhang, Bo
          Physical Chemistry Chemical Physics, 2019, 21, 4209--4214, 8
        166. Article: Electron-momentum-spectroscopy study on the valence electronic structure of methyl iodide: Electron correlation and relativistic effects
          Niu, Shanshan and Tang, Yaguo and Liu, Zhaohui and Shi, Yufeng and Wang, Enliang and Shan, Xu and Chen, Xiangjun
          Physical Review A, 2019, 99, 022512, 2
        167. Article: Comparing particle-particle and particle-hole channels of the random phase approximation
          Tahir, Muhammad N. and Ren, Xinguo
          Physical Review B, 2019, 99, 195149, 19
        168. Article: Engineering giant Rashba spin-orbit splitting in graphene via n- p codoping
          Qi, Shifei and Han, Yulei and Xu, Fuming and Xu, Xiaohong and Qiao, Zhenhua
          Physical Review B, 2019, 99, 195439, 19
        169. Article: Excitonic pairing of two-dimensional Dirac fermions near the antiferromagnetic quantum critical point
          Xiao, Hai-Xiao and Wang, Jing-Rong and Wu, Zheng-Wei and Liu, Guo-Zhu
          Physical Review B, 2019, 99, 245130, 24
        170. Article: Finite-size effects in the dynamic conductivity and Faraday effect of quantum anomalous Hall insulators
          Zeng, Junjie and Hou, Tao and Qiao, Zhenhua and Tse, Wang-Kong
          Physical Review B, 2019, 100, 205408, 20
        171. Article: First-principles calculations of photoluminescence and defect states of C e 3+-doped (Ca/Sr) 2 B 5 O 9 Cl
          Cai, Jiajia and Jing, Weiguo and Cheng, Jun and Zhang, Yongfan and Chen, Yonghu and Yin, Min and Yeung, Yau-Yuen and Duan, Chang-Kui
          Physical Review B, 2019, 99, 125107, 12
        172. Article: Gradient optimization of fermionic projected entangled pair states on directed lattices
          Dong, Shao-Jun and Wang, Chao and Han, Yongjian and Guo, Guang-can and He, Lixin
          Physical Review B, 2019, 99, 195153, 19
        173. Article: Optical properties of silicon and germanium determined by high-precision analysis of reflection electron energy loss spectroscopy spectra
          丁澤軍等
          PHYSICAL REVIEW B, 2019
        174. Article: Photogenerated carrier dynamics at the anatase/rutile Ti O 2 interface
          Wang, Yanan and Shi, Yongliang and Zhao, Chuanyu and Zheng, Qijing and Zhao, Jin
          Physical Review B, 2019, 99, 165309, 16
        175. Article: Quantum anomalous Hall effect by coupling heavy atomic layers with CrI 3
          Rehman, Majeed Ur and Dong, Xinlong and Hou, Tao and Li, Zeyu and Qi, Shifei and Qiao, Zhenhua
          Physical Review B, 2019, 100, 195422, 19
        176. Article: Quantum conductivity correction in a two-dimensional disordered pseudospin-1 system
          Yang, Zhi and Chen, Weiwei and Shi, Q. W. and Li, Qunxiang
          Physical Review B, 2019, 99, 134204, 13
        177. Article: Cross section measurements of e+ e-→ K+ K- K+ K- and ? K+ K- at center-of-mass energies from 2.10 to 3.08 GeV
          Ablikim, M. and Achasov, M. N. and Adlarson, P. and Ahmed, S. and Albrecht, M. and Alekseev, M. and Amoroso, A. and An, F. F. and An, Q. and Bai, Y.
          Physical Review D, 2019, 100, 032009, 3
        178. Article: Measurement of e+ e-→ K+ K- cross section at s= 2.00–3.08 GeV
          Ablikim, M. and Achasov, M. N. and Ahmed, S. and Albrecht, M. and Alekseev, M. and Amoroso, A. and An, F. F. and An, Q. and Bai, J. Z. and Bai, Y.
          Physical Review D, 2019, 99, 032001, 3
        179. Article: Observation of D s+→ p n extbackslash= and confirmation of its large branching fraction
          Ablikim, M. and Achasov, M. N. and Ahmed, S. and Albrecht, M. and Alekseev, M. and Amoroso, A. and An, F. F. and An, Q. and Bai, J. Z. and Bai, Y.
          Physical Review D, 2019, 99, 031101, 3
        180. Article: Study of the Dalitz decay J/ψ→ e+ e- η
          Ablikim, Medina and Achasov, M. N. and Ahmed, S. and Albrecht, M. and Alekseev, M. and Amoroso, A. and An, F. F. and An, Q. and Bai, Y. and Bakina, O.
          Physical Review D, 2019, 99, 012006, 1
        181. Article: Study of the decays D s+→ K S 0 K+ and K L 0 K+
          Ablikim, M. and Achasov, M. N. and Adlarson, P. and Ahmed, S. and Albrecht, M. and Alekseev, M. and Amoroso, A. and An, F. F. and An, Q. and Bai, Y.
          Physical Review D, 2019, 99, 112005, 11
        182. Article: Study of the decays Ds (+)- extgreater(KSK+)-K-0 and (KLK+)-K-0
          Ablikim, M. and Adlarson, Patrik and Biernat, Jacek and Ikegami Andersson, Walter and Johansson, Tord and Kupsc, Andrzej and Li, Cui and Papenbrock, Michael and Pettersson, Joachim and Sch?nning, Karin
          Physical Review D, 2019, 99, 11
        183. Article: An analytical solution for the solar flux density produced by a round focusing heliostat
          Huang, Weidong and Yu, Liang and Hu, Peng
          Renewable energy, 2019, 134, 306--320
        184. Article: Magnetized fluidized bed with binary admixture of magnetizable and nonmagnetizable particles
          Zhu, Quanhong and Li, Hongzhong and Huang, Qingshan
          Reviews in Chemical Engineering, 2019
        185. Article: Unveiling the Principle Descriptor for Predicting the Electron Inelastic Mean Free Path Based on a Machine Learning Framework
          丁澤軍等
          Science and Technology of Advanced Materials, 2019
        186. Article: The electric double layer structure modulates poly-dT 25 conformation and adsorption kinetics at the cationic lipid bilayer interface
          Li, PengHua and Shen, Yang and Wang, LiQun and Lu, WangTing and Li, WenHui and Chen, Kun and Zhou, YouHua and Shen, Lei and Wei, Feng and Zheng, WanQuan
          Soft matter, 2019
        187. Article: Calculation of the absolute photoionization cross-sections for C1–C4 Criegee intermediates and vinyl hydroperoxides
          Huang, Can and Yang, Bin and Zhang, Feng
          The Journal of chemical physics, 2019, 150, 164305, 16
        188. Article: Effect of cation replacement on the phase stability of formamidinium lead iodide perovskite
          Zhang, Jiajia and Xie, Chenggen and Li, Gang and Dai, Panpan and Yang, Lei and Liu, Renyong and Pan, Bicai
          The Journal of chemical physics, 2019, 151, 134104, 13
        189. Article: Eley Rideal recombination of hydrogen atoms on Cu (111): Quantitative role of electronic excitation in cross sections and product distributions
          Chen, Jialu and Zhou, Xueyao and Jiang, Bin
          The Journal of chemical physics, 2019, 150, 061101, 6
        190. Article: Linear scaling algorithm for tight-binding molecular dynamics simulations
          He, Z. H. and Ye, X. B. and Pan, B. C.
          The Journal of chemical physics, 2019, 150, 114107, 11
        191. Article: Theoretical investigation of real-time charge dynamics in open systems coupled to bulk materials
          徐瑞雪等
          The Journal of Chemical Physics, 2019
        192. Article: Mechanistic Study on Decarbonylative Phosphorylation of Aryl Amides by Nickel Catalysis
          Xu, Yuantai and Wang, Bing and Jiang, Julong and Yu, Haizhu and Fu, Yao
          The Journal of organic chemistry, 2019
        193. Article: Phenanthro [b]-fused BODIPYs through tandem Suzuki and oxidative aromatic couplings: synthesis and photophysical properties
          Miao, Wei and Feng, Yuanmei and Wu, Qinghua and Sheng, Wanle and Li, Mao and Liu, Qingyun and Hao, Erhong and Jiao, Lijuan
          The Journal of organic chemistry, 2019, 84, 9693--9704, 15
        194. Article: Ab Initio Simulation of Position-Dependent Electron Energy Loss and Its Application to the Plasmon Excitation of Nanographene
          Lu, Dabao and Hou, Zhufeng and Liu, Xun and Da, Bo and Ding, Z. J.
          The Journal of Physical Chemistry C, 2019, 123, 25341--25348, 41
        195. Article: Charge asymmetry effect in ion transport through angstrom-scale channels
          Yu, YanZi and Fan, JingCun and Esfandiar, Ali and Zhu, YinBo and Wu, HengAn and Wang, FengChao
          The Journal of Physical Chemistry C, 2019, 123, 1462--1469, 2
        196. Article: Dissociative Chemisorption of Methane on Stepped Ir (332) Surface: Density Functional Theory and Ab Initio Molecular Dynamics Studies
          Zhou, Xueyao and Jiang, Bin and Guo, Hua
          The Journal of Physical Chemistry C, 2019, 123, 20893--20902, 34
        197. Article: Evolution of Magnetic Anisotropy of an Organometallic Molecule in a Mechanically Controlled Break Junction: The Roles of Connecting Electrodes
          Yang, Longqing and Wang, Xiaoli and Uzma, Faiza and Zheng, Xiao and Yan, Yijing
          The Journal of Physical Chemistry C, 2019
        198. Article: Impact of Structural Transformation on Electrochemical Performances of Li-Rich Cathode Materials: The Case of Li2RuO3
          Zheng, Feng and Zheng, Shiyao and Zhang, Peng and Zhang, Xiaofeng and Wu, Shunqing and Yang, Yong and Zhu, Zi-zhong
          The Journal of Physical Chemistry C, 2019
        199. Article: Spin Selection Rule in Single-Site Catalysis of Molecular Oxygen Adsorption on Transition-Metal Phthalocyanines
          Zhao, Yeliang and Li, Bin and Yin, Ruoting and Wang, Yu and Yang, Jinlong and Zhang, Zhenyu and Wang, Bing
          The Journal of Physical Chemistry C, 2019
        200. Article: Spin-Crossover and Coherent Transport Behaviors of a Six-Coordinate Fe (II) Complex With a N4O2 Donor Set
          Gu, Yue and Hu, YuJie and Huang, Jing and Li, Qunxiang and Yang, Jinlong
          The Journal of Physical Chemistry C, 2019
        201. Article: Theoretical Insights into Li-Ion Transport in LiTa2PO8
          Hussain, Fiaz and Li, Pai and Li, Zhenyu
          The Journal of Physical Chemistry C, 2019, 123, 19282--19287, 32
        202. Article: Transition Metal Diboride: A New Family of Two-Dimensional Materials Designed for Selective CO2 Electroreduction
          Yuan, Hao and Li, Zhenyu and Yang, Jinlong
          The Journal of Physical Chemistry C, 2019
        203. Article: Ion Conductivity Enhancement in Anti-Spinel Li3OBr with Intrinsic Vacancies
          Hussain, Fiaz and Li, Pai and Li, Zhenyu and Yang, Jinlong
          Advanced Theory and Simulations, 2019, 2, 1800138, 3
        204. Article: The Contacts of the Monolayer Semiconductor C2N with 2D Metal Electrodes
          Chen, Zhao and Li, Xingxing and Yang, Jinlong
          Advanced Theory and Simulations, 2019, 2, 1800161, 3
        205. Article: An empirical law on the finite-size effects in electronic transport calculations of tungsten
          He, Zhihai and Ye, X. B. and Ding, W. Y. and He, H. Y. and Shi, Q. W. and Pan, B. C.
          AIP Advances, 2019, 9, 095047, 9
        206. Article: Experimental study of the effects of apex section internals and conical section length on the performance of solid–liquid hydrocyclone
          Han, Tianlong and Liu, Hongyan and Xiao, Hang and Chen, Aqiang and Huang, Qingshan
          Chemical Engineering Research and Design, 2019, 145, 12--18
        207. Article: Computational Design of One-Dimensional Ferromagnetic Semiconductors in Transition Metal Embedded Stannaspherene Nanowires
          Li, Xingxing and Yang, Jinlong
          Chinese Journal of Chemistry, 2019, 37, 1021--1024, 10
        208. Article: Electronic and mechanical properties of predicted tin nitride stoichiometric compounds under high pressure
          Aslam, Muhammad Aamir and Ding, Z. J.
          Computational Materials Science, 2019, 169, 109113
        209. Article: Formation and migration of helium pair in bcc Fe from first principle calculations
          Li, Liuliu and Shi, Jingyi and Peng, Lei and Jiang, Wei and Qian, Guian
          Computational Materials Science, 2019, 170, 109192
        210. Article: Unsupported shock wave induced dynamic fragmentation of matrix in lead with surface grooves
          Wang, JiaNan and Wu, FengChao and Zhu, YinBo and He, AnMin and Wang, Pei and Wu, HengAn
          Computational Materials Science, 2019, 156, 404--410
        211. Article: Role of surface microstructure of Mo back contact on alkali atom diffusion and Ga grading in Cu(In,Ga)Se2 thin film solar cells
          丁澤軍等
          Energy Science Engineering, 2019
        212. Article: Hot electron effects during reactive scattering of H2 from Ag (111): assessing the sensitivity to initial conditions, coupling magnitude, and electronic temperature
          Maurer, Reinhard J. and Zhang, Yaolong and Guo, Hua and Jiang, Bin
          Faraday discussions, 2019, 214, 105--121
        213. Article: Common reflection point mapping of the mantle transition zone using recorded and 3-D synthetic ScS reverberations
          Haugland, Samuel M. and Ritsema, Jeroen and Sun, Daoyuan and Trampert, Jeannot and Koroni, Maria
          Geophysical Journal International, 2019, 220, 724--736, 1
        214. Article: Embedded atom method potentials for La-Al-Ni ternary alloy
          Lei, Yawei and Li, Dongdong and Zhou, Rulong and Zhang, Bo
          Journal of Applied Physics, 2019, 125, 245109, 24
        215. Article: Fast reaction of aluminum nanoparticles promoted by oxide shell
          Wu, Bao and Wu, FengChao and Zhu, YinBo and He, AnMin and Wang, Pei and Wu, HengAn
          Journal of Applied Physics, 2019, 126, 144305, 14
        216. Article: Peculiarities in breakup and transport process of shock-induced ejecta with surrounding gas
          Wu, FengChao and Zhu, YinBo and Li, XinZhu and Wang, Pei and Wu, Qiang and Wu, HengAn
          Journal of Applied Physics, 2019, 125, 185901, 18
        217. Article: Time-dependent characteristics of secondary electron emission
          Li, C. and Mao, S. F. and Ding, Z. J.
          Journal of Applied Physics, 2019, 125, 024902, 2
        218. Article: A modified generalized Langevin oscillator model for activated gas-surface reactions
          蔣彬等
          Journal of Chemical Physics, 2019
        219. Article: Construction of direct Z-Scheme photocatalysts for overall water splitting using two-dimensional van der waals heterojunctions of metal dichalcogenides
          Fu, Cen-Feng and Zhang, Ruiqi and Luo, Qiquan and Li, Xingxing and Yang, Jinlong
          Journal of computational chemistry, 2019, 40, 980--987, 9
        220. Article: Reagent-free and pH-independent degradation of N-nitrosamines using electrons generated via corona discharge at ambient pressure
          Zhuang, Meihui and Li, Hongbao and Jiang, Jun and Huang, Guangming
          Journal of mass spectrometry, 2019, 54, 141--147, 2
        221. Article: Multiscale simulations of shale gas transport in micro/nano-porous shale matrix considering pore structure influence
          吳恒安等
          Journal of Natural Gas Science and Engineering, 2019
        222. Article: Defect production and segregation induced by collision cascades in U-10Zr alloy
          吳恒安等
          Journal of Nuclear Materials, 2019
        223. Article: New stoichiometric compounds of Au–Hg system under high pressure
          Aslam, Muhammad Aamir and Ding, Z. J.
          Journal of Physics: Condensed Matter, 2019, 31, 315402, 31
        224. Article: Ultrafast dynamics of solvated electrons at anatase TiO 2/H 2 O interface
          Sun, Huijuan and Zheng, Qijing and Lu, Wen-Cai and Zhao, Jin
          Journal of Physics: Condensed Matter, 2019
        225. Article: Amyloid formation kinetics of hen egg white lysozyme under heat and acidic conditions revealed by Raman spectroscopy
          Xing, Lei and Fan, Wei and Chen, Ning and Li, Mengna and Zhou, Xiaoguo and Liu, Shilin
          Journal of Raman Spectroscopy, 2019
        226. Article: Spin-Transport Tuning of Individual Magnetic Mn-Salophen Molecule via Chemical Adsorption
          Li, Feifei and Huang, Jing and Wang, Jianing and Li, Qunxiang
          Molecules, 2019, 24, 1747, 9
        227. Article: Thiophene and phenothiazine electrochromic copolymers with dual-state emission via tuning the distance of π-π stacking
          Wu, Jingchuan and Zeng, Zhiqiang and Chen, Qijun and Zheng, Jianming and Xu, Chunye
          Optical Materials, 2019, 96, 109346
        228. Article: Temperature dependent optical properties of SnO2 film study by ellipsometry
          丁澤軍等
          Optical Materials Express, 2019
        229. Article: Electrochemical Benzylation of [60] Fullerene-Fused Lactones: Unexpected Formation of Ring-Opened Adducts and Their Photovoltaic Performance
          Niu, Chuang and Li, Bairu and Yin, Zheng-Chun and Yang, Shangfeng and Wang, Guan-Wu
          Organic letters, 2019, 21, 7346--7350, 18
        230. Article: Regioselective Radical Hydroboration of gem-Difluoroalkenes: Synthesis of α-Borylated Organofluorines
          Jin, Ji-Kang and Zheng, Wan-Xin and Xia, Hui-Min and Zhang, Feng-Lian and Wang, Yi-Feng
          Organic letters, 2019, 21, 8414--8418, 20
        231. Article: Solvent-Directed Click Reaction between Active Methylene Compounds and Azido-1, 3, 5-triazines
          Yan, Ziqiang and Li, Yuanheng and Ma, Mingming
          Organic letters, 2019, 21, 7204--7208, 18
        232. Article: Visible-Light Excitation of BODIPYs Enables Self-Promoted Radical Arylation at Their 3, 5-Positions with Diazonium Salts
          Wang, Dandan and Cheng, Cheng and Wu, Qinghua and Wang, Jun and Kang, Zhengxin and Guo, Xing and Wu, Hao and Hao, Erhong and Jiao, Lijuan
          Organic Letters, 2019
        233. Article: Boosting ionic conductivity in antiperovskite Li 3 OCl via defect engineering: Interstitial versus vacancy
          Li, Pai and Hussain, Fiaz and Cui, Ping and Li, Zhenyu and Yang, Jinlong
          Physical Review Materials, 2019, 3, 115402, 11
        234. Article: Numerical study on the flow over two circular disks in tandem arrangement
          Liu, Minghou and Xie, Chen and Yang, Jianzhi and Zhu, Xiaowei and Yao, Mengyun
          Physics of Fluids, 2019, 31, 034102, 3
        235. Article: Effects of plasmoid formation on sawtooth process in a tokamak
          Ali, A. and Zhu, P.
          Physics of Plasmas, 2019, 26, 052518, 5
        236. Article: Numerical study of transition between even and odd toroidal Alfvén eigenmodes on EAST
          Hou, Yawei and Kim, Charlson C. and Zhu, Ping and Zou, Zhihui and Hu, Youjun and Yan, Xingting and Team, NIMROD
          Physics of Plasmas, 2019, 26, 082505, 8
        237. Article: Dominant two-fluid magnetohydrodynamic instabilities in CFETR upgrade phase-I scenario in presence of perfect conducting wall
          Cheng, Shikui and Zhu, Ping and Banerjee, Debabrata and Yan, Xingting
          Plasma Physics and Controlled Fusion, 2019, 61, 045009, 4
        238. Article: Modeling the effect of divertor closure on plasma detachment for new divertor design of EAST by SOLPS
          Si, H. and Guo, H. Y. and Xu, G. S. and Yao, D. M. and Wang, L. and Ding, R. and Luo, Z. P. and Xu, J. C. and Mao, S. F. and Team, EAST
          Plasma Physics and Controlled Fusion, 2019, 61, 095007, 9
        239. Article: Electrostatic interactions determine entrance/release order of substrates in the catalytic cycle of adenylate kinase
          Ye, Chun and Ding, Chengtao and Ma, Rongsheng and Wang, Junfeng and Zhang, Zhiyong
          Proteins: Structure, Function, and Bioinformatics, 2019, 87, 337--347, 4
        240. Article: Intermediate band solar cell materials through the doping of group-VA elements (N, P, As and Sb) in Cu2ZnSiSe4
          丁澤軍等
          RSC Advances, 2019
        241. Article: Transport property of ligand-driven light-induced spin-change Fe-based spin crossover complexes
          Li, Feifei and Huang, Jing and Hu, Yujie and Li, Qunxiang
          RSC advances, 2019, 9, 12339--12345, 22
        242. Article: Role of Hydrogen Bonding in Green Fluorescent Protein-like Chromophore Emission
          江俊等
          Scientific Reports, 2019
        243. Article: Reactions of the electrochemically generated dianion of [60] fullerene with bulky secondary alky bromides
          Liu, Kai-Qing and Wang, Guan-Wu
          Tetrahedron Letters, 2019, 60, 1049--1052, 15, Elsevier
        244. Article: How Does the Spliceosome Catalyze Intron Lariat Formation? Insight from Quantum Mechanics/Molecular Mechanics Free Energy Simulations
          Huang, Wenting and Huang, Yan and Xu, Jun and Liao, Jie-Lou
          The Journal of Physical Chemistry B, 2019
        245. Article: First-principles investigation of the concentration effect on equilibrium fractionation of Ca isotopes in forsterite
          Song, Yahui and Li, Yonghui and Wang, Wenzhong and Wu, Zhongqing
          Acta Geochimica, 2019, 38, 497--507, 4
        246. Article: Enhanced catalytic hydrogen evolution reaction in phosphorene nanosheet via cobalt intercalation
          Zhang, Wen-liang and Zhang, Kai and Wu, Xiao-jun
          Chinese Journal of Chemical Physics, 2019, 32, 572, 5
        247. Article: First-principles study of Pd single-atom catalysis to hydrogen desorption reactions on MgH2 (110) surface
          Wu, Xin-xing and Hu, Wei
          Chinese Journal of Chemical Physics, 2019, 32, 319, 3
        248. Article: Phosphorene-based van der Waals heterojunction for solar water splitting
          Wang, Peng and Meng, Jie and Huang, Jing and Wang, Jia-jun and Li, Qun-xiang
          Chinese Journal of Chemical Physics, 2019, 32, 431, 4
        249. Article: Photoionization and dissociation study of 2-methyl-2-propen-1-ol: Experimental and theoretical insights
          Yu, Ye-peng and Li, Zhao-hui and Lin, Xuan and Chen, Jun and Zhang, Hang and Li, Yan-bo and Wang, Huang-huang and Sun, Rui-rui and Meng, Qing-hui and Shan, Xiao-bin
          Chinese Journal of Chemical Physics, 2019, 32, 306--312, 3
        250. Article: CFETR integration design platform: overview and recent progress
          Mao, Shifeng and Ye, Minyou and Li, Yang and Zhang, Jianwu and Zhan, Xianda and Wang, Zhongwei and Xu, Kun and Liu, Xufeng and Li, Jiangang
          Fusion Engineering and Design, 2019
        251. Article: Simulation study of evolution of helium bubbles in bulk tungsten
          Zhan, Jie and Ye, Minyou and Mao, Shifeng and Ren, Jincai and Xu, Xinyuan
          Fusion Engineering and Design, 2019
        252. Article: The impacts of blanket on CFETR ohmic breakdown
          Chen, D. and Ye, M. Y. and Luo, Z. P. and Mao, S. F. and Chan, V. S. and Liu, L.
          Fusion Engineering and Design, 2019, 144, 119--124
        253. Article: Double-hole-mediated coupling of anionic dopants in perovskite NaNbO3 for efficient solar water splitting
          Wang, Jiajun and Teng, Jing and Pu, Lizhi and Huang, Jing and Wang, Ying and Li, Qunxiang
          International Journal of Quantum Chemistry, 2019, 119, e25930, 14
        254. Article: Structural and Electronic Properties of Binary Clusters Si m Ge n (m+ n= 6–13)
          Huang, Yingying and Liang, Xiaoqing and Li, Zhe and Sai, Linwei and Zhao, Jijun and Zeng, Xiao Cheng
          Journal of nanoscience and nanotechnology, 2019, 19, 7879--7885, 12
        255. Article: Alfvén eigenmode stability analysis and energetic particle transport prediction for CFETR hybrid scenario
          Yunpeng, Z. O. U. and Minyou, Y. E.
          Plasma Science and Technology, 2019, 21, 095104, 9
        256. Article: Investigation of ion fishbone stability on HL-2A using NIMROD
          Yaorong, YANG and Yawei, H. O. U. and Wei, CHEN and Ping, Z. H. U. and Xianqu, WANG and Zhihui, Z. O. U. and Yi, Y. U. and Min, X. U. and Minyou, Y. E.
          Plasma Science and Technology, 2019, 21, 085101, 8
        257. Article: Determination of electron inelastic mean free path of three transition metals from reflection electron energy loss spectroscopy spectrum measurement data
          Yang, Lihao and T extbackslashHokési, Károly and Da, Bo and Ding, Zejun
          The European Physical Journal D, 2019, 73, 21, 2
        258. Article: Surface and bulk plasmon excitations of silver by electron impact
          Gong, Jiamin and Yang, Lihao and THok'esi, K'aroly and Ding, Zejun
          The European Physical Journal D, 2019, 73, 24, 2, Springer
        259. InProceedings: A Novel Two-Step Job Runtime Estimation Method Based on Input Parameters in HPC System
          Wang, Qiqi and Li, Jing and Wang, Shuo and Wu, Guibao
          2019 IEEE 4th International Conference on Cloud Computing and Big Data Analysis (ICCCBDA), 2019, 311--316, IEEE
        260. InProceedings: Accelerating the Deep Reinforcement Learning with Neural Network Compression
          Zhang, Hongjie and He, Zhuocheng and Li, Jing
          2019 International Joint Conference on Neural Networks (IJCNN), 2019, 1--8, IEEE
        261. InProceedings: Constructing Skeleton for Parallel Applications with Machine Learning Methods
          Zhang, Zihang and Sun, Jingwei and Zhang, Jiepeng and Qin, Yuze and Sun, Guangzhong
          Proceedings of the 48th International Conference on Parallel Processing: Workshops, 2019, 16, ACM
        262. InProceedings: Isostatic jamming of two-dimensional monodisperse system under quenched disorder
          Zhang, Wen and Zhang, Shiyun and Xu, Ning
          APS Meeting Abstracts, 2019
        263. Book: Nanomechanics of Graphene and Design of Graphene Composites
          Liu, Xiaoyi
          APS Meeting Abstracts, 2019, Springer
        264. InProceedings: Study on the flow and heat transfer in a thermal shielding radiator
          Sun, Feiyang and Wu, Yiqiang and Xie, Fubo and Qian, Peng and Liu, Minghou
          IOP Conference Series: Materials Science and Engineering, 2019, 556, 012010, IOP Publishing
        265. Article: Cu-Based Nanosheet Arrays for Water-Splitting
          Liu, Qilong and Liu, Qiangchun and Kong, Xiangkai
          ACS Applied Nano Materials, 2019, 2, 6000--6009, 9
        266. Article: Pd Nanoparticles Capped with [CpPd (II) Cl] 2 Complexes for Hydrogenation and Acid-Free Acetalization of α, β-Unsaturated Aldehydes
          Zhao, Sheng-Jie and Zhou, Xiao and Li, Hong-Bao and Liang, Kuang and Ma, Liu-Bo and Fang, Xiao-Xiang and Zhao, Tan and Ling, Cong and Xu, An-Wu
          ACS Applied Nano Materials, 2019, 2, 5634--5642, 9
        267. Article: Design of graphene waveguide: Effect of edge orientation and waveguide configuration
          Shah, Nayyar Abbas and Mosallanejad, Vahid and Chiu, Kuei-Lin and Guo, Guo-ping
          arXiv preprint arXiv:1901.00292, 2019
        268. Article: A Comparative Study on Monte Carlo Simulations of Electron Emission from Liquid Water
          Mehnaz, M. and Yang, L. H. and Zou, Y. B. and Da, B. and Mao, S. F. and Ding, Z. J.
          arXiv preprint arXiv:1903.11235, 2019
        269. Article: Prospects for CP & P violation in $$ extbackslashbackslash$Lambda\_ $\$c$\$ extasciicircum+ $ decay at STCF
          Shi, Xiao-Dong and Kang, Xian-Wei and Bigi, Ikaros and Wang, Wei-Ping and Peng, Hai-Ping
          arXiv preprint arXiv:1904.12415, 2019
        270. Article: Current Partition and Conducting Topological Networks in Twisted Graphene Bilayer
          Hou, Tao and Ren, Yafei and Quan, Yujie and Jung, Jeil and Ren, Wei and Qiao, Zhenhua
          arXiv preprint arXiv:1904.12826, 2019
        271. Article: Pressure-Induced Modification of Anomalous Hall Effect in Layered Fe $ \_3 $ GeTe $ \_2$
          Wang, Xiangqi and Li, Zeyu and Zhang, Min and Hou, Tao and Zhao, Jinggeng and Li, Lin and Rahman, Azizur and Xu, Zilong and Gong, Junbo and Chi, Zhenhua
          arXiv preprint arXiv:1905.04269, 2019
        272. Article: Solving the Grad-Shafranov equation using spectral elements for tokamak equilibrium with toroidal rotation
          Li, Haolong and Zhu, Ping
          arXiv preprint arXiv:1906.05534, 2019
        273. Article: Pursuing High-Temperature Quantum Anomalous Hall Effect in MnBi $ \_2 $ Te $ \_4 $/Sb $ \_2 $ Te $ \_3 $ Heterostructures
          Qi, Shifei and Gao, Ruiling and Chang, Maozhi and Han, Yulei and Qiao, Zhenhua
          arXiv preprint arXiv:1908.00498, 2019
        274. Article: Stable diagonal stripes in the tJ model at $$ extbackslashbackslash$bar $\$n$\$ \_h $= 1/8 doping from fPEPS calculations
          Dong, Shao-Jun and Wang, Chao and Han, Yong-Jian and Yang, Chao and He, Lixin
          arXiv preprint arXiv:1908.10000, 2019
        275. Article: Quantum Simulation of Quantum $$ extbackslashbackslash$mathbb $\$Z$\$ \_2 $ Gauge Theory demonstrated in a GPU Simulator
          Cui, Xiaopeng and Yang, Ji-Chong and Shi, Yu
          arXiv preprint arXiv:1910.08020, 2019
        276. Article: Enhanced Electronic Transport in Disordered Hyperuniform Two-Dimensional Amorphous Silica
          Zheng, Yu and Liu, Lei and Nan, Hanqing and Shen, Zhen-Xiong and Zhang, Ge and Chen, Duyu and He, Lixin and Xu, Wenxiang and Chen, Mohan and Jiao, Yang
          arXiv preprint arXiv:1911.03066, 2019
        277. Article: Mesoscopic Electronic Transport in Twisted Bilayer Graphene
          Han, Yulei and Ren, Yafei and Dong, Xinlong and Zeng, Junjie and Ren, Wei and Qiao, Zhenhua
          arXiv preprint arXiv:1911.07277, 2019
        278. Article: Low-$ n $ global ideal MHD instabilities in CFETR baseline scenario
          Han, Rui and Zhu, Ping and Banerjee, Debabrata and Cheng, Shikui and Yan, Xingting and Zheng, Linjin
          arXiv preprint arXiv:1911.11615, 2019
        279. Article: APEC: An accesson-based method for single-cell chromatin accessibility analysis
          Li, Bin and Li, Young and Li, Kun and Zhu, Lianbang and Yu, Qiaoni and Fang, Jingwen and Cai, Pengfei and Jiang, Chen and Qu, Kun
          bioRxiv, 2019, 646331
        280. Article: Functional classification of noncoding RNAs associated with distinct histone modifications by PIRCh-seq
          Fang, Jingwen and Ma, Qing and Chu, Ci and Huang, Beibei and Li, Lingjie and Cai, Pengfei and Batista, Pedro J. and Tolentino, Karen Erisse Martin and Xu, Jin and Li, Rui
          bioRxiv, 2019, 667881
        281. Article: Gene modules associated with human diseases revealed by network analysis
          Ma, Shisong and Gong, Jiazhen and Zuo, Wanzhu and Geng, Haiying and Zhang, Yu and Wang, Meng and Han, Ershang and Peng, Jing and Wang, Yuzhou and Wang, Yifan
          bioRxiv, 2019, 598151
        282. Article: NHC-Boryl Radical Catalysis for Cycloisomerization With C–C Triple Bond Reorganization
          Xu, Ai-Qing and Zhang, Feng-Lian and Ye, Tian and Yu, Zhi-Xiang and Wang, Yi-Feng
          CCS Chemistry, 2019, 504--512
        283. Article: Simultaneous denoising and interpolation of seismic data via the deep learning method
          Gao, Han and Zhang, Jie
          Earthquake Research in China, 2019, 1, 37--51
        284. Article: Ultrafast electron transfer dynamics in lateral transition-metal dichalcogenide heterostructures
          Zheng, Zhenfa and Zheng, Qijing and Zhao, Jin
          Electronic Structure, 2019, 1, 034001, 3
        285. Article: Compact design of GreatWay Welding machine
          Qian, Peng and Li, Xinlong and Gu, Hailin and Xie, Fubo and Sun, Feiyang and Liu, Minghou
          Energy Procedia, 2019, 158, 5219--5224
        286. Article: Numerical study of droplet formation in the T-junction microchannel with wall velocity slip
          Li, Xinlong and He, Liqun and Gu, Hailin and Sun, Feiyang and Liu, Minghou
          Energy Procedia, 2019, 158, 5459--5464
        287. Article: Microbeam analysis — Scanning electron microscopy — Method for evaluating critical dimensions by CD-SEM
          丁澤軍等
          ISO 21466:2019., 2019
        288. Article: Pattern selection of three components Gray-Scott model
          丁澤軍等
          Journal of Physics: Conf. Series, 2019
        289. Article: A novel family of AIE-active meso-2-ketopyrrolyl BODIPYs: bright solid-state red fluorescence, morphological properties and application as viscosimeters in live cells,
          焦莉娟等
          Mater. Chem. Front. 2019, 3, 1823-1832, 2019
        290. Article: Room-temperature magnetism and tunable energy gaps in edge-passivated zigzag graphene quantum dots
          Hu, Wei and Huang, Yi and Qin, Xinmin and Lin, Lin and Kan, Erjun and Li, Xingxing and Yang, Chao and Yang, Jinlong
          npj 2D Materials and Applications, 2019, 3, 17, 1

        2018年:227篇

        1. Article: Atomistic Simulations of Graphene Growth: From Kinetics to Mechanism
          Qiu, Zongyang and Li, Pai and Li, Zhenyu and Yang, Jinlong
          Accounts of chemical research, 2018, 51, 728--735, 3
        2. Article: Anion Engineering on 3D Ni3S2 Nanosheets Array toward Water Splitting
          Liu, Qilong and Wei, Lingzhi and Liu, Qiangchun and Chen, Guilin and Kong, Xiangkai
          ACS Applied Energy Materials, 2018, 0
        3. Article: Framework of Cytochrome/Vitamin B2 Linker/Graphene for Robust Microbial Electricity Generation
          Yu, Sheng-Song and Cheng, Lei and Chen, Jie-Jie and Li, Wen-Wei and Zhao, Feng and Wang, Wen-Lan and Li, Dao-Bo and Zhang, Feng and Yu, Han-Qing
          ACS applied materials & interfaces, 2018, 10, 35090--35098, 41, ACS Publications
        4. Article: Mesoporous Pd@ Ru Core–Shell Nanorods for Hydrogen Evolution Reaction in Alkaline Solution
          Luo, Yiqi and Luo, Xuan and Wu, Geng and Li, Zhijun and Wang, Guanzhong and Jiang, Bin and Hu, Yanmin and Chao, Tingting and Ju, Huanxin and Zhu, Junfa
          ACS applied materials & interfaces, 2018, 10, 34147--34152, 40
        5. Article: Shuttle Suppression by Polymer-Sealed Graphene-Coated Polypropylene Separator
          Ou, Xuewu and Yu, Yanzi and Wu, Ruizhe and Tyagi, Abhishek and Zhuang, Minghao and Ding, Yao and Abidi, Irfan Haider and Wu, Hengan and Wang, Fengchao and Luo, Zhengtang
          ACS applied materials & interfaces, 2018, 10, 5534--5542, 6
        6. Article: Manipulating the redox kinetics of Li--S chemistry by tellurium doping for improved Li--S batteries
          Xu, Kangli and Liu, Xiaojing and Liang, Jianwen and Cai, Jinyan and Zhang, Kailong and Lu, Yue and Wu, Xun and Zhu, Maogen and Liu, Yun and Zhu, Yongchun and others
          ACS Energy Letters, 2018, 3, 420--427, 2, ACS Publications
        7. Article: Metal--Organic Framework Templated Pd@ PdO--Co3O4 Nanocubes as an Efficient Bifunctional Oxygen Electrocatalyst
          Li, Hong-Chao and Zhang, Ying-Jie and Hu, Xiao and Liu, Wu-Jun and Chen, Jie-Jie and Yu, Han-Qing
          Advanced Energy Materials, 2018, 8, 1702734, 11, Wiley Online Library
        8. Article: Anatase (101) Reconstructed Surface with Novel Functionalities: Desired Bandgap for Visible Light Absorption and High Chemical Reactivity
          Zhou, Rulong and Qu, Bingyan and Li, Dongdong and Sun, Xiaorui and Zeng, Xiao Cheng
          Advanced Functional Materials, 2018, 28, 1705529, 8
        9. Article: O-, N-Atoms-Coordinated Mn Cofactors within a Graphene Framework as Bioinspired Oxygen Reduction Reaction Electrocatalysts
          Yang, Yang and Mao, Kaitian and Gao, Shiqi and Huang, Hao and Xia, Guoliang and Lin, Zhiyu and Jiang, Peng and Wang, Changlai and Wang, Hui and Chen, Qianwang
          Advanced Materials, 2018, 30, 1801732, 28, Wiley Online Library
        10. Article: Tuning the Activity of Carbon for Electrocatalytic Hydrogen Evolution via an Iridium-Cobalt Alloy Core Encapsulated in Nitrogen-Doped Carbon Cages
          Jiang, Peng and Chen, Jitang and Wang, Changlai and Yang, Kang and Gong, Shipeng and Liu, Shuai and Lin, Zhiyu and Li, Mengsi and Xia, Guoliang and Yang, Yang
          Advanced Materials, 2018, 30, 1705324, 9
        11. Article: A Silver Nanocluster Containing Interstitial Sulfur and Unprecedented Chemical Bonds
          Liu, Xu and Chen, Jishi and Yuan, Jinyun and Li, Yizhi and Li, Jin and Zhou, Shiming and Yao, Chuanhao and Liao, Lingwen and Zhuang, Shengli and Zhao, Yan
          Angewandte Chemie, 2018, 130, 11443--11447, 35
        12. Article: Efficient Visible-Light-Driven CO2 Reduction Mediated by Defect-Engineered BiOBr Atomic Layers
          Wu, Ju and Li, Xiaodong and Shi, Wen and Ling, Peiquan and Sun, Yongfu and Jiao, Xingchen and Gao, Shan and Liang, Liang and Xu, Jiaqi and Yan, Wensheng
          Angewandte Chemie, 2018, 130, 8855--8859, 28
        13. Article: Visible-Light-Driven Overall Water Splitting Boosted by Tetrahedrally Coordinated Blende Cobalt (II) Oxide Atomic Layers
          Xu, Jiaqi and Li, Xiaodong and Ju, Zhengyu and Sun, Yongfu and Jiao, Xingchen and Wu, Ju and Wang, Chengming and Yan, Wensheng and Ju, Huanxin and Zhu, Junfa
          Angewandte Chemie, 2018, 0
        14. Article: Blending Non-Group-3 Transition Metal and Rare-Earth Metal into a C80 Fullerene Cage with D5h Symmetry
          Wei, Tao and Jin, Fei and Guan, Runnan and Huang, Jing and Chen, Muqing and Li, Qunxiang and Yang, Shangfeng
          Angewandte Chemie International Edition, 2018, 0
        15. Article: Tailoring the d-Band Centers Enables Co4N Nanosheets To Be Highly Active for Hydrogen Evolution Catalysis
          Chen, Zhiyan and Song, Yao and Cai, Jinyan and Zheng, Xusheng and Han, Dongdong and Wu, Yishang and Zang, Yipeng and Niu, Shuwen and Liu, Yun and Zhu, Junfa
          Angewandte Chemie International Edition, 2018, 57, 5076--5080, 18
        16. Article: Enhanced photocatalytic degradation of bisphenol A by Co-doped BiOCl nanosheets under visible light irradiation
          Wang, Chu-Ya and Zhang, Ying-Jie and Wang, Wei-Kang and Pei, Dan-Ni and Huang, Gui-Xiang and Chen, Jie-Jie and Zhang, Xing and Yu, Han-Qing
          Applied Catalysis B: Environmental, 2018, 221, 320--328, 0, Elsevier
        17. Article: Enhanced visible-light photocatalytic activity of Bi2MoO6 nanoplates with heterogeneous Bi2MoO6-x@ Bi2MoO6 core-shell structure
          Guo, Jianhui and Shi, Lei and Zhao, Jiyin and Wang, Yang and Tang, Kaibin and Zhang, Wanqun and Xie, Changzheng and Yuan, Xueyou
          Applied Catalysis B: Environmental, 2018, 224, 692--704, 0
        18. Article: Effects of brown coatings on the absorption enhancement of black carbon: a numerical investigation
          Luo, Jie and Zhang, Yongming and Wang, Feng and Zhang, Qixing
          Atmospheric Chemistry and Physics, 2018, 0
        19. Article: Feedback effects of boundary-layer meteorological factors on cumulative explosive growth of PM 2.5 during winter heavy pollution episodes in Beijing from 2013 to 2016
          Zhong, Junting and Zhang, Xiaoye and Dong, Yunsheng and Wang, Yaqiang and Liu, Cheng and Wang, Jizhi and Zhang, Yangmei and Che, Haochi
          Atmospheric Chemistry and Physics, 2018, 18, 247--258, 1, Copernicus GmbH
        20. Article: Coronoid nanographene C216 as hydrogen purification membrane: A density functional theory study
          Liu, Yi and Liu, Wei and Hou, Jian and Dai, Yafei and Yang, Jinlong
          Carbon, 2018, 135, 112--117, 0
        21. Article: Rapid identification of the layer number of large-area graphene on copper
          Qi, Zhikai and Zhu, Xudong and Jin, Hongchang and Zhang, Tiezhu and Kong, Xianghua and Ruoff, Rodney S and Qiao, Zhenhua and Ji, Hengxing
          Chemistry of Materials, 2018, 30, 2067--2073, 6, ACS Publications
        22. Article: Structures of WxNy Crystals and Their Intrinsic Properties: First-Principles Calculations
          Kang, Zhixiong and He, H. Y. and Ding, Rui and Chen, Junling and Pan, B. C.
          Crystal Growth & Design, 2018, 18, 2270--2278, 4
        23. Article: The combined effects of post-spinel and post-garnet phase transitions on mantle plume dynamics
          Liu, Hao and Wang, Wenzhong and Jia, Xinghua and Leng, Wei and Wu, Zhongqing and Sun, Daoyuan
          Earth and Planetary Science Letters, 2018, 496, 80--88, 0, Elsevier
        24. Article: The electrochemical performance and CO2 reduction mechanism on strontium doped lanthanum ferrite fuel electrode in solid oxide electrolysis cell
          Yang, Yi and Li, Yihang and Jiang, Yunan and Zheng, Minghao and Hong, Tao and Wu, Xiaojun and Xia, Changrong
          Electrochimica Acta, 2018, 284, 159--167, 0, Elsevier
        25. Article: Development of a new flux density function for a focusing heliostat
          Huang, Weidong and Yu, Liang
          Energy, 2018, 151, 358--375, 0
        26. Article: Performance analysis and optimization of an integrated azimuth tracking solar tower
          Hu, Peng and Huang, Weidong
          Energy, 2018, 157, 247--257, 0
        27. Article: Epitaxial facet junctions on TiO 2 single crystals for efficient photocatalytic water splitting
          Zhang, Ai-Yong and Wang, Wei-Yi and Chen, Jie-Jie and Liu, Chang and Li, Qun-Xiang and Zhang, Xing and Li, Wen-Wei and Si, Yang and Yu, Han-Qing
          Energy & Environmental Science, 2018, 0
        28. Article: Exploring the Aggregation Mechanism of Graphene Oxide in the Presence of Radioactive Elements: Experimental and Theoretical Studies
          Gao, Yang and Chen, Ke and Ren, Xuemei and Alsaedi, Ahmed and Hayat, Tasawar and Chen, Changlun
          Environmental science & technology, 2018, 52, 12208--12215, 21, ACS Publications
        29. Article: Simulation study of the radiative divertor with argon seeding for CFETR phase II
          Zhou, Y. F. and Mao, S. F. and Shi, N. and Zhao, D. and Xu, G. L. and Xu, C. and Zhang, C. J. and Chan, V. and Ye, M. Y.
          Fusion Engineering and Design, 2018, 0
        30. Article: Diffusion coefficients of Mg isotopes in MgSiO3 and Mg2SiO4 melts calculated by first-principles molecular dynamics simulations
          Liu, Xiaohui and Qi, Yuhan and Zheng, Daye and Zhou, Chen and He, Lixin and Huang, Fang
          Geochimica et Cosmochimica Acta, 2018, 223, 364--376, 0, Elsevier
        31. Article: A synergistic vertical graphene skeleton and S–C shell to construct high-performance TiNb 2 O 7-based core/shell arrays
          Shen, Shenghui and Guo, Weihao and Xie, Dong and Wang, Yadong and Deng, Shengjue and Zhong, Yu and Wang, Xiuli and Xia, Xinhui and Tu, Jiangping
          Journal of Materials Chemistry A, 2018, 6, 20195--20204, 41
        32. Article: Designing Highly Efficient Dual-Metal Single-Atom Electrocatalysts for Oxygen Reduction Reaction Inspired by Biological Enzyme System
          Gong, Shipeng and Wang, Changlai and Jiang, Peng and Hu, Lin and Lei, Hu and Chen, Qianwang
          Journal of Materials Chemistry A, 2018, 0
        33. Article: Interface engineering of Ru--Co 3 O 4 nanocomposites for enhancing CO oxidation
          Wang, Changlai and Liu, Shuai and Wang, Dongdong and Chen, Qianwang
          Journal of Materials Chemistry A, 2018, 6, 11037--11043, 23, Royal Society of Chemistry
        34. Article: Two-dimensional Few-layer Group-III Metal Monochalcogenides as Effective Photocatalysts for Overall Water Splitting under the Visible Range
          Cui, Yui and Peng, Lei and Sun, Liping and Qian, Qi and Huang, Yucheng
          Journal of Materials Chemistry A, 2018, 0
        35. Article: A new phase of the two-dimensional ReS 2 sheet with tunable magnetism
          Sun, Zhongti and Lv, Haifeng and Zhuo, Zhiwen and Jalil, Abdul and Zhang, Wenhua and Wu, Xiaojun and Yang, Jinlong
          Journal of Materials Chemistry C, 2018, 6, 1248--1254, 5
        36. Article: Atomically thin semiconducting penta-PdP 2 and PdAs 2 with ultrahigh carrier mobility
          Yuan, Hao and Li, Zhenyu and Yang, Jinlong
          Journal of Materials Chemistry C, 2018, 6, 9055--9059, 34
        37. Article: Bipolar magnetism in a two-dimensional NbS 2 semiconductor with high Curie temperature
          Sun, Yingjie and Zhuo, Zhiwen and Wu, Xiaojun
          Journal of Materials Chemistry C, 2018, 6, 11401--11406, 42
        38. Article: Two-dimensional transitional metal dihydride crystals with anisotropic and spin-polarized Fermi Dirac cones
          Lv, Haifeng and Wu, Daoxiong and Li, Xiuling and Wu, Xiaojun and Yang, Jinlong
          Journal of Materials Chemistry C, 2018, 0
        39. Article: Cooperative spin transition of monodispersed FeN3 sites within graphene induced by CO adsorption
          Li, Qin-Kun and Li, Xiao-Fei and Zhang, Guozhen and Jiang, Jun
          Journal of the American Chemical Society, 2018, 0
        40. Article: Degradation Chemistry and Stabilization of Exfoliated Few-Layer Black Phosphorus in Water
          Zhang, Taiming and Wan, Yangyang and Xie, Huanyu and Mu, Yang and Du, Pingwu and Wang, Dong and Wu, Xiaojun and Ji, Hengxing and Wan, Lijun
          Journal of the American Chemical Society, 2018, 0
        41. Article: Kernel Tuning and Nonuniform Influence on Optical and Electrochemical Gaps of Bimetal Nanoclusters
          He, Lizhong and Yuan, Jinyun and Xia, Nan and Liao, Lingwen and Liu, Xu and Gan, Zibao and Wang, Chengming and Yang, Jinlong and Wu, Zhikun
          Journal of the American Chemical Society, 2018, 140, 3487--3490, 10
        42. Article: Kinetic Strategies for the Formation of Graphyne Nanowires via Sonogashira Coupling on Ag (111)
          Wang, Tao and Huang, Jianmin and Lv, Haifeng and Fan, Qitang and Feng, Lin and Tao, Zhijie and Ju, Huanxin and Wu, Xiaojun and Tait, Steven L. and Zhu, Junfa
          Journal of the American Chemical Society, 2018, 0
        43. Article: Oxygen-vacancy-mediated exciton dissociation in BiOBr for boosting charge-carrier-involved molecular oxygen activation
          Wang, Hui and Yong, Dingyu and Chen, Shichuan and Jiang, Shenlong and Zhang, Xiaodong and Shao, Wei and Zhang, Qun and Yan, Wensheng and Pan, Bicai and Xie, Yi
          Journal of the American Chemical Society, 2018, 140, 1760--1766, 5, ACS Publications
        44. Article: Ultrathin MXene nanosheets with rich fluorine termination groups realizing efficient electrocatalytic hydrogen evolution
          Li, Shuang and Tuo, Ping and Xie, Junfeng and Zhang, Xiaodong and Xu, Jianguang and Bao, Jian and Pan, Bicai and Xie, Yi
          Nano energy, 2018, 47, 512--518, 0, Elsevier
        45. Article: Delocalized Impurity Phonon Induced Electron–Hole Recombination in Doped Semiconductors
          Zhang, Lili and Zheng, Qijing and Xie, Yu and Lan, Zhenggang and Prezhdo, Oleg V. and Saidi, Wissam A. and Zhao, Jin
          Nano letters, 2018, 18, 1592--1599, 3
        46. Article: Intrinsic electric fields in two-dimensional materials boost the solar-to-hydrogen efficiency for photocatalytic water splitting
          Fu, Cen-Feng and Sun, Jiuyu and Luo, Qiquan and Li, Xingxing and Hu, Wei and Yang, Jinlong
          Nano letters, 2018, 0
        47. Article: Enhanced O 2 reduction on atomically thin Pt-based nanoshells by integrating surface facet, interfacial electronic, and substrate stabilization effects
          Ye, Wei and Sun, Zhongti and Wang, Chengming and Ye, Mengshan and Ren, Chenhao and Long, Ran and Zheng, Xusheng and Zhu, Junfa and Wu, Xiaojun and Xiong, Yujie
          Nano Research, 2018, 11, 3313--3326, 6
        48. Article: Ni-doped ZnCo 2 O 4 atomic layers to boost the selectivity in solar-driven reduction of CO 2
          Liu, Katong and Li, Xiaodong and Liang, Liang and Wu, Ju and Jiao, Xingchen and Xu, Jiaqi and Sun, Yongfu and Xie, Yi
          Nano Research, 2018, 1--12, 0, Springer
        49. Article: First-Principles Study on the Stabilities, Electronic and Optical Properties of GexSn1-xSe Alloys
          Qian, Qi and Peng, Lei and Cui, Yu and Sun, Liping and Du, Jinyan and Huang, Yucheng
          Nanomaterials, 2018, 8, 876, 11
        50. Article: Incorporation of Cu--N x cofactors into graphene encapsulated Co as biomimetic electrocatalysts for efficient oxygen reduction
          Yang, Yang and Wang, Changlai and Gao, Shiqi and Mao, Kaitian and Xia, Guoliang and Lin, Zhiyu and Jiang, Peng and Hu, Lin and Chen, Qianwang
          Nanoscale, 2018, 10, 21076--21086, 45, Royal Society of Chemistry
        51. Article: Morphological and mechanical determinants of cellular uptake of deformable nanoparticles
          Chen, Liping and Li, Xuejin and Zhang, Yunhan and Chen, Tongwei and Xiao, Shiyan and Liang, Haojun
          Nanoscale, 2018, 0
        52. Article: Penta-Pt 2 N 4: an ideal two-dimensional material for nanoelectronics
          Liu, Zhao and Wang, Haidi and Sun, Jiuyu and Sun, Rujie and Wang, Z. F. and Yang, Jinlong
          Nanoscale, 2018, 10, 16169--16177, 34
        53. Article: Significantly enhanced magnetoresistance in monolayer WTe 2 via heterojunction engineering: a first-principles study
          Hu, Lin and Kang, Lei and Yang, Jinlong and Huang, Bing and Liu, Feng
          Nanoscale, 2018, 10, 22231--22236, 47, Royal Society of Chemistry
        54. Article: The roles of buckled geometry and water environment in the excitonic properties of graphitic C 3 N 4
          Sun, Jiuyu and Li, Xingxing and Yang, Jinlong
          Nanoscale, 2018, 10, 3738--3743, 8, Royal Society of Chemistry
        55. Article: Two-Dimensional Silicon Crystals with Sizable Band Gaps and Ultrahigh Carrier Mobility
          Zhuo, Zhiwen and Wu, Xiaojun and Yang, Jinlong
          Nanoscale, 2018, 0
        56. Article: Interfacial coupling induced direct Z scheme water splitting in metal-free photocatalyst: C3N/g-C3N4 heterojunctions
          Wang, Jiajun and Li, Xiaoting and You, Ya and Xintong, Yang and Wang, Ying and Li, Qunxiang
          Nanotechnology, 2018, 0
        57. Article: Direct observation of single-molecule hydrogen-bond dynamics with single-bond resolution
          Zhou, Ce and Li, Xingxing and Gong, Zhongliang and Jia, Chuancheng and Lin, Yuanwei and Gu, Chunhui and He, Gen and Zhong, Yuwu and Yang, Jinlong and Guo, Xuefeng
          Nature communications, 2018, 9, 807, 1
        58. Article: Electron density modulation of NiCo 2 S 4 nanowires by nitrogen incorporation for highly efficient hydrogen evolution catalysis
          Wu, Yishang and Liu, Xiaojing and Han, Dongdong and Song, Xianyin and Shi, Lei and Song, Yao and Niu, Shuwen and Xie, Yufang and Cai, Jinyan and Wu, Shaoyang
          Nature communications, 2018, 9, 1425, 1
        59. Article: Vibrational control of selective bond cleavage in dissociative chemisorption of methanol on Cu (111)
          Chen, Jialu and Zhou, Xueyao and Zhang, Yaolong and Jiang, Bin
          Nature communications, 2018, 9, 4039, 1
        60. Article: Synergetic interaction between neighbouring platinum monomers in CO 2 hydrogenation
          Li, Hongliang and Wang, Liangbing and Dai, Yizhou and Pu, Zhengtian and Lao, Zhuohan and Chen, Yawei and Wang, Menglin and Zheng, Xusheng and Zhu, Junfa and Zhang, Wenhua and others
          Nature nanotechnology, 2018, 13, 411, 5, Nature Publishing Group
        61. Article: Intrinsic Quantum Anomalous Hall Effect with In-Plane Magnetization: Searching Rule and Material Prediction
          Liu, Zhao and Zhao, Gan and Liu, Bing and Wang, ZF and Yang, Jinlong and Liu, Feng
          Physical review letters, 2018, 121, 246401, 24, APS
        62. Article: Light-Induced Type-II Band Inversion and Quantum Anomalous Hall State in Monolayer FeSe
          Wang, Z. F. and Liu, Zhao and Yang, Jinlong and Liu, Feng
          Physical review letters, 2018, 120, 156406, 15
        63. Article: Tuning the Carrier Confinement in GeS/Phosphorene van der Waals Heterostructures
          Wang, Chan and Peng, Lei and Qian, Qi and Du, Jinyan and Wang, Sufan and Huang, Yucheng
          Small, 2018, 14, 1703536, 10
        64. Article: Ultrasmall Ru/Cu-doped RuO2 Complex Embedded in Amorphous Carbon Skeleton as Highly Active Bifunctional Electrocatalysts for Overall Water Splitting
          Yang, Kang and Xu, Pengping and Lin, Zhiyu and Yang, Yang and Jiang, Peng and Wang, Changlai and Liu, Shuai and Gong, Shipeng and Hu, Lin and Chen, Qianwang
          Small, 2018, 14, 1803009, 41
        65. Article: Bimodal Formation Time Distribution for Infall Dark Matter Halos
          Shi, Jingjing and Wang, Huiyuan and Mo, HJ and Xie, Lizhi and Wang, Xiaoyu and Lapi, Andrea and Sheth, Ravi K
          The Astrophysical Journal, 2018, 857, 127, 2, IOP Publishing
        66. Article: ELUCID. IV. Galaxy Quenching and its Relation to Halo Mass, Environment, and Assembly Bias
          Wang, Huiyuan and Mo, H. J. and Chen, Sihan and Yang, Yang and Yang, Xiaohu and Wang, Enci and van den Bosch, Frank C. and Jing, Yipeng and Kang, Xi and Lin, Weipeng
          The Astrophysical Journal, 2018, 852, 31, 1
        67. Article: Ring Galaxies Through Off-center Minor Collisions by Tuning Bulge-to-disk Mass Ratio of Progenitors
          Chen, Guangwen and Wu, Xufen and Kong, Xu and Liu, Wen-Juan and Zhao, HongSheng
          The Astrophysical Journal, 2018, 864, 72, 1
        68. Article: The Dearth of Difference between Central and Satellite Galaxies. I. Perspectives on Star Formation Quenching and AGN Activities
          Wang, Enci and Wang, Huiyuan and Mo, Houjun and Lim, SH and van den Bosch, Frank C and Kong, Xu and Wang, Lixin and Yang, Xiaohu and Chen, Sihan
          The Astrophysical Journal, 2018, 860, 102, 2, IOP Publishing
        69. Article: The Dearth of Differences between Central and Satellite Galaxies. II. Comparison of Observations with L-GALAXIES and EAGLE in Star Formation Quenching
          Wang, Enci and Wang, Huiyuan and Mo, Houjun and van den Bosch, Frank C and Lim, SH and Wang, Lixin and Yang, Xiaohu and Chen, Sihan
          The Astrophysical Journal, 2018, 864, 51, 1, IOP Publishing
        70. Article: Highly dual-heteroatom-doped ultrathin carbon nanosheets with expanded interlayer distance for efficient energy storage
          Lai, Feili and Zhou, Gangyong and Li, Fei and He, Zhihai and Yong, Dingyu and Bai, Wei and Huang, Yunpeng and Tjiu, Weng Weei and Miao, Yue-E and Pan, Bicai and others
          ACS Sustainable Chemistry & Engineering, 2018, 6, 3143--3153, 3, ACS Publications
        71. Article: Tuning the Electronic Structure of Se via Constructing Rh-MoSe2 Nanocomposite to Generate High-Performance Electrocatalysis for Hydrogen Evolution Reaction
          Liu, Shuai and Li, Mengsi and Wang, Changlai and Jiang, Peng and Hu, Lin and Chen, Qianwang
          ACS Sustainable Chemistry & Engineering, 2018, 6, 9137--9144, 7, ACS Publications
        72. Article: Turning Carbon Atoms into Highly Active Oxygen Reduction Reaction Electrocatalytic Sites in Nitrogen-Doped Graphene Coated Co@ Ag
          Li, Mengsi and Wang, Changlai and Yang, Yang and Jiang, Peng and Lin, Zhiyu and Xia, Guoliang and Yang, Kang and Xu, Pengping and Chen, Qianwang
          ACS Sustainable Chemistry & Engineering, 2018, 0
        73. Article: First-principles study of the electronic and optical properties of Li (Nb, Os) O3 alloys
          Shen, Zhen-Xiong and Ren, Xinguo and He, Lixin
          Applied Physics Letters, 2018, 112, 103901, 10
        74. Article: Pressure-induced topological phase transitions and structural transition in 1T-TiTe2 single crystal
          Zhang, Min and Wang, Xiangqi and Rahman, Azizur and Zeng, Qunsong and Huang, Da and Dai, Rucheng and Wang, Zhongping and Zhang, Zengming
          Applied Physics Letters, 2018, 112, 041907, 4
        75. Article: Optical properties and excitation energies of iridium derived from reflection electron energy loss spectroscopy spectra
          Yang, L. H. and Menyhárd, M. and Sulyok, A. and T extbackslashHokési, K. and Ding, Z. J.
          Applied Surface Science, 2018, 456, 999--1003, 0
        76. Article: Directional wave-in-deck loading on offshore structures with porous and plated decks with supporting I-beams
          Chen, Yu and Wu, Yanling and Bahuguni, Anand and Gullman-Strand, Johan and Lv, Xin and Lou, Jing and Ren, Weiwei
          Coastal Engineering, 2018, 137, 79--91, 0, Elsevier
        77. Article: A theoretical kinetics study on low-temperature reactions of methyl acetate radicals with molecular oxygen
          Meng, Qinghui and Zhao, Xudong and Zhang, Lidong and Zhang, Peng and Sheng, Liusi
          Combustion and Flame, 2018, 196, 45--53, 0
        78. Article: Predicting heat fluxes received by horizontal targets from two buoyant turbulent diffusion flames of propane burning in still air
          Wan, Huaxian and Gao, Zihe and Ji, Jie and Sun, Jinhua and Zhang, Yongming and Li, Kaiyuan
          Combustion and Flame, 2018, 190, 260--269, 0, Elsevier
        79. Article: Quantification of the resonance stabilized C4H5 isomers and their reaction with acetylene
          Huang, Can and Yang, Bin and Zhang, Feng and Tian, Guangjun
          Combustion and Flame, 2018, 198, 334--341, 0
        80. Article: Transition condition and control mechanism of subatmospheric flame spread rate over horizontal thin paper sample
          Fang, Jun and He, Xuan-ze and Li, Kai-yuan and Wang, Jing-wu and Zhang, Yong-ming
          Combustion and Flame, 2018, 188, 90--93, 0, Elsevier
        81. Article: TNSPackage: A Fortran2003 library designed for tensor network state methods
          Dong, Shao-Jun and Liu, Wen-Yuan and Wang, Chao and Han, Yongjian and Guo, G.-C. and He, Lixin
          Computer Physics Communications, 2018, 228, 163--177, 0
        82. Article: Luminescence properties and the thermal quenching mechanism of Mn 2+ doped Zn 2 GeO 4 long persistent phosphors
          Chi, Fengfeng and Wei, Xiantao and Jiang, Bin and Chen, Yonghu and Duan, Changkui and Yin, Min
          Dalton Transactions, 2018, 47, 1303--1311, 4
        83. Article: Molecular simulations of methane adsorption behavior in illite nanopores considering basal and edge surfaces
          Hao, Youzhi and Yuan, Lanfeng and Li, Peichao and Zhao, Wenhui and Li, Daolun and Lu, Detang
          Energy & fuels, 2018, 32, 4783--4796, 4, ACS Publications
        84. Article: Three-Dimensional Direct Numerical Simulation of n-Dodecane Spray Autoignition with Complex Chemistry
          Zhou, Taotao and Zhao, Majie and Zhu, Minming and Ye, Taohong and Liu, Minghou
          Energy & Fuels, 2018, 32, 9838--9849, 9
        85. Article: Interfacial properties of black phosphorus/transition metal carbide van der Waals heterostructures
          Yuan, Hao and Li, Zhenyu
          Frontiers of Physics, 2018, 13, 138103, 3, Springer
        86. Article: Quantum anomalous Hall effect and giant Rashba spin-orbit splitting in graphene system co-doped with boron and 5d transition-metal atoms
          Deng, Xinzhou and Yang, Hualing and Qi, Shifei and Xu, Xiaohong and Qiao, Zhenhua
          Frontiers of Physics, 2018, 13, 137308, 5
        87. Article: Elasticity of orthoenstatite at high pressure and temperature: Implications for the origin of low VP/VS zones in the mantle wedge
          Qian, Wangsheng and Wang, Wenzhong and Zou, Fan and Wu, Zhongqing
          Geophysical Research Letters, 2018, 45, 665--673, 2, Wiley Online Library
        88. Article: Enhanced Oxygen Evolution Reaction for Single Atomic Co Catalyst via Support Modification: A Density Functional Theory Design Predication
          Chen, Chunting and Chen, Guilin and Kong, Xiangkai
          Inorganic chemistry, 2018, 0
        89. Article: Thermodynamic Stabilities, Electronic Properties, and Optical Transitions of Intrinsic Defects and Lanthanide Ions (Ce3+, Eu2+, and Eu3+) in Li2SrSiO4
          Wen, Jun and Guo, Zhidong and Guo, Hai and Ning, Lixin and Duan, Chang-Kui and Huang, Yucheng and Zhan, Shengbao and Yin, Min
          Inorganic chemistry, 2018, 0
        90. Article: Direct numerical simulation of strongly heated air flows in a vertical pipe using a thermophysical property table
          Zhao, Pinghui and Liu, Jiaming and Ge, Zhihao and Li, Yuanjie and Zhao, Nian and Wan, Yuanxi
          International Journal of Heat and Mass Transfer, 2018, 124, 1181--1197, 0
        91. Article: Direct numerical simulation of turbulent mixed convection of LBE in heated upward pipe flows
          Zhao, Pinghui and Zhu, Jiayin and Ge, Zhihao and Liu, Jiaming and Li, Yuanjie
          International Journal of Heat and Mass Transfer, 2018, 126, 1275--1288, 0
        92. Article: DNS of turbulent mixed convection over a vertical backward-facing step for lead-bismuth eutectic
          Zhao, Pinghui and Wang, Chaozheng and Ge, Zhihao and Zhu, Jiayin and Liu, Jiaming and Ye, Minyou
          International Journal of Heat and Mass Transfer, 2018, 127, 1215--1229, 0
        93. Article: Lattice Boltzmann method simulations about shale gas flow in contracting nano-channels
          Li, XiangZhe and Fan, JingCun and Yu, Hao and Zhu, YinBo and Wu, HengAn
          International Journal of Heat and Mass Transfer, 2018, 122, 1210--1221, 0
        94. Article: Pressure-dependent transport characteristic of methane gas in slit nanopores
          Yu, Hao and Fan, JingCun and Chen, Jie and Zhu, YinBo and Wu, HengAn
          International Journal of Heat and Mass Transfer, 2018, 123, 657--667, 0
        95. Article: A numerical study of laminar flame speed of stratified syngas/air flames
          Wei, Wei and Yu, Zhou and Zhou, Taotao and Ye, Taohong
          International Journal of Hydrogen Energy, 2018, 43, 9036--9045, 18
        96. Article: Single Pd atom and Pd dimer embedded graphene catalyzed formic acid dehydrogenation: A first-principles study
          Luo, Qiquan and Zhang, Wenhua and Fu, Cen-Feng and Yang, Jinlong
          International Journal of Hydrogen Energy, 2018, 43, 6997--7006, 14
        97. Article: Numerical simulation of manipulated flow and heat transfer over surface-mounted rib
          Gu, Hailin and Yao, Mengyun and Zhao, Pu and Li, Xinlong and Liu, Minghou
          International Journal of Thermal Sciences, 2018, 129, 124--134, 0
        98. Article: Optical thickness of emissivity for pool fire radiation
          Fang, Jun and Wang, Jingwu and Tu, Ran and Shang, Rui and Zhang, Yong-ming and Wang, Jin-jun
          International Journal of Thermal Sciences, 2018, 124, 338--343, 0, Elsevier
        99. Article: An empirical law for the elastic moduli of component-segregated W/Cu compounds
          Ye, X. B. and Ding, W. Y. and He, H. Y. and Ding, R. and Chen, J. L. and Pan, B. C.
          Journal of Alloys and Compounds, 2018, 766, 349--354, 0
        100. Article: Geometries, stabilities and electronic properties of photo sensitized (CdS) 2n (n= 5–27) nanoclusters
          Zhao, Run-Ning and Chen, Rui and Li, Qing and Duan, Yuhua and Han, Ju-Guang
          Journal of Alloys and Compounds, 2018, 762, 754--762, 0
        101. Article: Site preference and diffusion behaviors of H influenced by the implanted-He in 3C-β SiC
          Wang, Sen and He, H. Y. and Ding, R. and Chen, J. L. and Pan, B. C.
          Journal of Alloys and Compounds, 2018, 742, 226--231, 0
        102. Article: Scattering matrix for typical urban anthropogenic origin cement dust and discrimination of representative atmospheric particulates
          Liu, Jia and Zhang, Yongming and Zhang, Qixing and Wang, Jinjun
          Journal of Geophysical Research: Atmospheres, 2018, 123, 3159--3174, 6, Wiley Online Library
        103. Article: An Extended Semianalytical Approach for Thermoelasticity of Monoclinic Crystals: Application to Diopside
          Zou, Fan and Wu, Zhongqing and Wang, Wenzhong and Wentzcovitch, Renata M
          Journal of Geophysical Research: Solid Earth, 2018, 123, 7629--7643, 9, Wiley Online Library
        104. Article: Elasticity of Corundum at High Pressures and Temperatures: Implications for Pyrope Decomposition and Al-Content Effect on Elastic Properties of Bridgmanite
          Wang, Wenzhong and Wu, Zhongqing
          Journal of Geophysical Research: Solid Earth, 2018, 123, 1201--1216, 2, Wiley Online Library
        105. Article: Identification of local structures around Ce3+ centers in potassium magnesium fluoride
          Cheng, Jun and Duan, Chang-Kui and Wen, Jun and Zhang, Yongfan and Yin, Min
          Journal of Luminescence, 2018, 201, 24--30, 0
        106. Article: Mitosis-specific acetylation tunes Ran effector binding for chromosome segregation
          Bao, Xiaoling and Liu, Heng and Liu, Xing and Ruan, Ke and Zhang, Yonghui and Zhang, Zhiyong and Hu, Qi and Liu, Ying and Akram, Saima and Zhang, Jiahai and others
          Journal of molecular cell biology, 2018, 10, 18--32, 1, Oxford University Press
        107. Article: A Monte Carlo modeling on charging effect for structures with arbitrary geometries
          Li, C. and Mao, S. F. and Zou, Y. B. and Li, Yong Gang and Zhang, P. and Li, H. M. and Ding, Z. J.
          Journal of Physics D: Applied Physics, 2018, 51, 165301, 16
        108. Article: A model study of aggregates composed of spherical soot monomers with an acentric carbon shell
          Luo, Jie and Zhang, Yongming and Zhang, Qixing
          Journal of Quantitative Spectroscopy and Radiative Transfer, 2018, 205, 184--195, 0, Elsevier
        109. Article: Applying machine learning to estimate the optical properties of black carbon fractal aggregates
          Luo, Jie and Zhang, Yongming and Wang, Feng and Wang, Jinjun and Zhang, Qixing
          Journal of Quantitative Spectroscopy and Radiative Transfer, 2018, 215, 1--8, 0
        110. Article: First-Principles Study on Layered C2N–Metal Interfaces
          Chen, Zhao and Zhang, Ruiqi and Yang, Jinlong
          Langmuir, 2018, 34, 2647--2653, 8
        111. Article: Theoretical Insights into the Interactions between Star-shaped Antimicrobial Polypeptides and Bacterial Membrane
          Zhang, Yunhan and Chen, Tongwei and Pan, Zhimeng and Sun, Xianbao and Yin, Xue and He, Miao and Xiao, Shiyan and Liang, HaoJun
          Langmuir, 2018, 0
        112. Article: Selective reductive cleavage of C O bond in lignin model compounds over nitrogen-doped carbon-supported iron catalysts
          Li, Jiang and Sun, Hui and Liu, Jia-xing and Zhang, Jun-jie and Li, Zhen-xing and Fu, Yao
          Molecular Catalysis, 2018, 452, 36--45, 0
        113. Article: Bohmian trajectory-Bloch wave approach to dynamical simulation of electron diffraction in crystal
          Cheng, Long and Ming, Yi and Ding, Z. J.
          New Journal of Physics, 2018, 0
        114. Article: Surface alloy engineering in 2D trigonal lattice: giant Rashba spin splitting and two large topological gaps
          Liu, Zhao and Jin, Yingdi and Yang, Yuchen and Wang, Z. F. and Yang, Jinlong
          New Journal of Physics, 2018, 20, 023041, 2
        115. Article: Accumulation of beryllium and its effects on hydrogen retention in tungsten divertor
          He, Zhihai and He, H. Y. and Chen, J. L. and Ding, R. and Pan, B. C.
          Nuclear Fusion, 2018, 58, 106015, 10
        116. Article: Evaluating the effects of tungsten on CFETR phase I performance
          Shi, Shengyu and Jian, Xiang and Chan, Vincent S. and Gao, Xiang and Liu, Xiaoju and Shi, Nan and Chen, Jiale and Liu, Li and Wu, Muquan and Zhu, Yiren
          Nuclear Fusion, 2018, 58, 126020, 12
        117. Article: The time-dependent simulation of CFETR baseline steady-state scenarios
          Liu, Li and Kessel, Charles E. and Chan, Vincent and Guo, Yong and Chen, Jiale and Jian, Xiang and Mao, Shifeng and Ye, Minyou
          Nuclear Fusion, 2018, 0
        118. Article: Mechanistic insights into the ruthenium-catalyzed site-selective oxidation of alcohols
          Wang, Bing and Jiang, Julong and Yu, Haizhu and Fu, Yao
          Organic Chemistry Frontiers, 2018, 5, 2473--2478, 16
        119. Article: Electrofluorochromic and electrochromic bifunctional polymers with dual-state emission via introducing multiple C—H··· π bonds
          Wu, Jingchuan and Han, Yifei and Liu, Jian and Shi, Yuchen and Zheng, Jianming and Xu, Chunye
          Organic Electronics, 2018, 62, 481--490, 0
        120. Article: Theoretical Investigation on Ni-Catalyzed C (sp3)--F Activation and Ring Contraction of Tetrahydropyrans: Exploration of an SN2 Pathway
          Xu, Zheyuan and Yang, Yinuo and Jiang, Julong and Fu, Yao
          Organometallics, 2018, 37, 1114--1122, 7, ACS Publications
        121. Article: Enhanced electronic and optical properties of three TMD heterobilayers
          Rehman, Shafiq Ur and Ding, Zejun
          Physical Chemistry Chemical Physics, 2018, 0
        122. Article: Enhancement of the spin polarization of an Fe 3 O 4 (100) surface by nitric oxide adsorption
          Li, Z. Y. and Jibran, M. and Sun, Xia and Pratt, Andrew and Wang, B. and Yamauchi, Yasushi and Ding, Z. J.
          Physical Chemistry Chemical Physics, 2018, 20, 15871--15875, 23
        123. Article: Theoretical insights into the reactivity of Fe-based catalysts for water oxidation: the role of electron-withdrawing groups
          Xu, Penglin and Hu, Shaojin and Zhang, Hou-Dao and Zheng, Xiao
          Physical Chemistry Chemical Physics, 2018, 20, 14919--14926, 21
        124. Article: Understanding the quenching nature of Mn4+ in wide band gap inorganic compounds: Design principles for Mn4+ phosphors with higher efficiency
          Wang, Lei and Dai, Zhaoxiang and Zhou, Rulong and Qu, Bingyan and Zeng, Xiao Cheng
          Physical Chemistry Chemical Physics, 2018, 0
        125. Article: Multicenter three-distorted-wave approach to three-dimensional images for electron-impact-ionization dynamics of molecules: Overall agreement with experiment
          Gong, Maomao and Li, Xingyu and Zhang, Song Bin and Niu, Shanshan and Ren, Xueguang and Wang, Enliang and Dorn, Alexander and Chen, Xiangjun
          Physical Review A, 2018, 98, 042710, 4
        126. Article: Ultrafast fragmentation dynamics of triply charged carbon dioxide: Vibrational-mode-dependent molecular bond breakage
          Yang, HongJiang and Wang, Enliang and Dong, WenXiu and Gong, Maomao and Shen, Zhenjie and Tang, Yaguo and Shan, Xu and Chen, Xiangjun
          Physical Review A, 2018, 97, 052703, 5
        127. Article: Atomic resolution on the (111) B surface of mercury cadmium telluride by scanning tunneling microscopy
          Zha, Fang-Xing and Hong, Feng and Pan, Bi-Cai and Wang, Yin and Shao, Jun and Shen, Xue-Chu
          Physical Review B, 2018, 97, 035401, 3, APS
        128. Article: Electron-phonon interaction in a Ca 2 N monolayer: Intrinsic mobility of electrene
          Zeng, Xiongzhi and Zhao, Songtao and Li, Zhenyu and Yang, Jinlong
          Physical Review B, 2018, 98, 155443, 15
        129. Article: Phonon-coupled ultrafast interlayer charge oscillation at van der Waals heterostructure interfaces
          Zheng, Qijing and Xie, Yu and Lan, Zhenggang and Prezhdo, Oleg V. and Saidi, Wissam A. and Zhao, Jin
          Physical Review B, 2018, 97, 205417, 20
        130. Article: Pressure-induced organic topological nodal-line semimetal in the three-dimensional molecular crystal Pd (dddt) 2
          Liu, Zhao and Wang, Haidi and Wang, ZF and Yang, Jinlong and Liu, Feng
          Physical Review B, 2018, 97, 155138, 15, APS
        131. Article: Quantum superconductor-insulator transition in titanium monoxide thin films with a wide range of oxygen contents
          Fan, Y. J. and Ma, C. and Wang, T. Y. and Zhang, C. and Chen, Q. L. and Liu, X. and Wang, Z. Q. and Li, Q. and Yin, Y. W. and Li, X. G.
          Physical Review B, 2018, 98, 064501, 6
        132. Article: Solving frustrated quantum many-particle models with convolutional neural networks
          Liang, Xiao and Liu, Wen-Yuan and Lin, Pei-Ze and Guo, Guang-Can and Zhang, Yong-Sheng and He, Lixin
          Physical Review B, 2018, 98, 104426, 10
        133. Article: Evidence for the Singly Cabibbo Suppressed Decay Λ\_c?→ pη and Search for Λc+→ pπ?
          Ablikim, M. and Achasov, M. N. and Ahmed, S. and Ai, X. C. and Albayrak, O. and Albrecht, M. and Ambrose, D. J. and Lou, Xinchou and Collaboration, BESIII
          Physical Review D, 2018, 95, 11
        134. Article: Measurement of e+ e-→ π 0 π 0 ψ (3686) at s from 4.009 to 4.600 GeV and observation of a neutral charmoniumlike structure
          Ablikim, M. and Achasov, M. N. and Ahmed, S. and Albrecht, M. and Amoroso, A. and An, F. F. and An, Q. and Bai, J. Z. and Bakina, O. and Ferroli, R. Baldini
          Physical Review D, 2018, 97, 052001, 5
        135. Article: Observation of a cross-section enhancement near mass threshold in e+ e-→ Λ Λ extbackslash=
          Ablikim, M. and Achasov, M. N. and Ahmed, S. and Ai, X. C. and Albayrak, O. and Albrecht, M. and Ambrose, D. J. and Amoroso, A. and An, F. F. and An, Q.
          Physical Review D, 2018, 97, 032013, 3
        136. Article: Observation of h 1 (1380) in the J/ψ→ η′ K K extbackslash= π decay
          Ablikim, M. and Achasov, M. N. and Ahmed, S. and Albrecht, M. and Amoroso, A. and An, F. F. and An, Q. and Bai, J. Z. and Bai, Y. and Bakina, O.
          Physical Review D, 2018, 98, 072005, 7
        137. Article: Search for invisible decays of $omega$ and $phi$ with J/$psi$ data at BESIII
          Ablikim, M and Achasov, MN and Ahmed, S and Albrecht, M and Alekseev, M and Amoroso, A and An, FF and An, Q and Bai, Y and Bakina, O and others
          Physical Review D, 2018, 98, 032001, 3, APS
        138. Article: Study of the decays D+→ η (′) e+ ν e
          Ablikim, M. and Achasov, M. N. and Ahmed, S. and Albrecht, M. and Amoroso, A. and An, F. F. and An, Q. and Bai, Y. and Bakina, O. and Ferroli, R. Baldini
          Physical Review D, 2018, 97, 092009, 9
        139. Article: Numerical extraction of sound velocities of energy transfer based on solitons in Fermi-Pasta-Ulam chains
          Ming, Yi and Ye, Liu and Ling, Dong-Bo and Chen, Han-Shuang and Li, Hui-Min and Ding, Ze-Jun
          Physical Review E, 2018, 98, 032215, 3
        140. Article: Solitons as candidates for energy carriers in Fermi-Pasta-Ulam lattices
          Ming, Yi and Ye, Liu and Chen, Han-Shuang and Mao, Shi-Feng and Li, Hui-Min and Ding, Ze-Jun
          Physical Review E, 2018, 97, 012221, 1
        141. Article: Coupling of Surface Plasmon Modes and Refractive Index Sensitivity of Hollow Silver Nanoprism
          Zhang, K. J. and Lu, D. B. and Da, B. and Ding, Z. J.
          Scientific reports, 2018, 8, 15993, 1
        142. Article: Generation of Bose-Einstein Condensates’ Ground State Through Machine Learning
          Liang, Xiao and Zhang, Huan and Liu, Sheng and Li, Yan and Zhang, Yong-Sheng
          Scientific Reports, 2018, 8, 16337, 1
        143. Article: Criticality of the zero-temperature jamming transition probed by self-propelled particles
          Liao, Qinyi and Xu, Ning
          Soft matter, 2018, 0, Royal Society of Chemistry
        144. Article: Ab initio molecular dynamics study of the Eley-Rideal reaction of H+ Cl–Au (111)→ HCl+ Au (111): Impact of energy dissipation to surface phonons and electron-hole pairs
          Zhou, Linsen and Zhou, Xueyao and Alducin, Maite and Zhang, Liang and Jiang, Bin and Guo, Hua
          The Journal of chemical physics, 2018, 148, 014702, 1
        145. Article: Communication: Fingerprints of reaction mechanisms in product distributions: Eley-Rideal-type reactions between D and CD3/Cu (111)
          Zhou, Linsen and Jiang, Bin and Alducin, Maite and Guo, Hua
          The Journal of chemical physics, 2018, 149, 031101, 3, AIP Publishing
        146. Article: Effects of surface motion and electron-hole pair excitations in CO2 dissociation and scattering on Ni (100)
          Luo, Xuan and Zhou, Xueyao and Jiang, Bin
          The Journal of chemical physics, 2018, 148, 174702, 17
        147. Article: On the exact truncation tier of fermionic hierarchical equations of motion
          Han, Lu and Zhang, Hou-Dao and Zheng, Xiao and Yan, YiJing
          The Journal of Chemical Physics, 2018, 148, 234108, 23
        148. Article: Polybrominated BOPHY Dyes: Synthesis, Reactivity, and Properties
          Lv, Xiaokang and Li, Tingting and Wu, Qinghua and Yu, Changjiang and Jiao, Lijuan and Hao, Erhong
          The Journal of organic chemistry, 2018, 83, 1134--1145, 3, ACS Publications
        149. Article: Aggregation-Induced Enhancement of Molecular Phosphorescence Lifetime: A First-Principle Study
          Zhang, Jinxiao and Sharman, Edward and Yang, Li and Jiang, Jun and Zhang, Guozhen
          The Journal of Physical Chemistry C, 2018, 122, 25796--25803, 45, ACS Publications
        150. Article: Ambipolar Half-Metallicity in One-Dimensional Metal–(1, 2, 4, 5-Benzenetetramine) Coordination Polymers via Carrier Doping
          Wan, Yangyang and Sun, Yingjie and Wu, Xiaojun and Yang, Jinlong
          The Journal of Physical Chemistry C, 2018, 122, 989--994, 1
        151. Article: Constructing High-Dimensional Neural Network Potential Energy Surfaces for Gas–Surface Scattering and Reactions
          Liu, Qinghua and Zhou, Xueyao and Zhou, Linsen and Zhang, Yaolong and Luo, Xuan and Guo, Hua and Jiang, Bin
          The Journal of Physical Chemistry C, 2018, 122, 1761--1769, 3
        152. Article: DFT and SERS Study of L-cysteine Adsorption on the Surface of Gold Nanoparticles
          Yao, Guohua and Huang, Qing
          The Journal of Physical Chemistry C, 2018, 0
        153. Article: Graphene Oxide-Supported Transition Metal Catalysts for Di-Nitrogen Reduction
          Yang, Tongtong and Tang, Shaobin and Li, Xiyu and Sharman, Edward and Jiang, Jun and Luo, Yi
          The Journal of Physical Chemistry C, 2018, 0
        154. Article: Hot Atom Mediated Dynamical Displacement of CO Adsorbed on Cu (111) by Incident H Atoms: an Ab Initio Molecular Dynamics Study
          Zhou, Xueyao and Zhang, Liang and Jiang, Bin
          The Journal of Physical Chemistry C, 2018, 0
        155. Article: Pressure-Induced Conformer Modifications and Electronic Structural Changes in 1, 3, 5-Triamino-2, 4, 6-trinitrobenzene (TATB) up to 20 GPa
          Sun, Xiaoyu and Wang, Xiangqi and Liang, Wentao and Gao, Chan and Sui, Zhilei and Liu, Moxiao and Dai, Rucheng and Wang, Zhongping and Zheng, Xianxu and Zhang, Zengming
          The Journal of Physical Chemistry C, 2018, 122, 15861--15867, 28
        156. Article: Structure and Reactivity of Anatase TiO2 (001)-(1$ extbackslashtimes$ 4) Surface
          Sun, Huijuan and Lu, Wen-Cai and Zhao, Jin
          The Journal of Physical Chemistry C, 2018, 0
        157. Article: Two-Dimensional Be2C with Octacoordinate Carbons and Negative Poisson’s Ratio
          Qian, Shifeng and Sheng, Xiaowei and Zhou, Yong and Yan, Xiaozhen and Chen, Yangmei and Huang, Yucheng and Huang, Xiaofen and Feng, Eryin and Huang, Wuying
          The Journal of Physical Chemistry C, 2018, 122, 7959--7967, 14
        158. Article: Atomically Intercalating Tin Ions into the Interlayer of Molybdenum Oxide Nanobelt toward Long-Cycling Lithium Battery
          Wu, Chuanqiang and Xie, Hui and Li, Dongdong and Liu, Daobin and Ding, Shiqing and Tao, Shi and Chen, Heng and Liu, Qin and Chen, Shuangming and Chu, Wangsheng
          The journal of physical chemistry letters, 2018, 9, 817--824, 4
        159. Article: Direct Z-Scheme Water Splitting Photocatalyst Based on Two-Dimensional Van Der Waals Heterostructures
          Zhang, Ruiqi and Zhang, Lili and Zheng, Qijing and Gao, Pengfei and Zhao, Jin and Yang, Jinlong
          The journal of physical chemistry letters, 2018, 9, 5419--5424, 18
        160. Article: Dissociative Chemisorption of O2 on Al (111): Dynamics on a Correlated Wave-Function-Based Potential Energy Surface
          Yin, Rongrong and Zhang, Yaolong and Libisch, Florian and Carter, Emily A and Guo, Hua and Jiang, Bin
          The journal of physical chemistry letters, 2018, 9, 3271--3277, 12, ACS Publications
        161. Article: Dynamic nature of CTCF tandem 11 zinc fingers in multivalent recognition of DNA as revealed by NMR spectroscopy
          Xu, Difei and Ma, Rongsheng and Zhang, Jiahai and Liu, Zhijun and Wu, Bo and Peng, Junhui and Zhai, Yanan and Gong, Qingguo and Shi, Yunyu and Wu, Jihui and others
          The journal of physical chemistry letters, 2018, 9, 4020--4028, 14, ACS Publications
        162. Article: Experimentally Validated Structures of Supported Metal Nanoclusters on MoS2
          Shi, Yongliang and Song, Boao and Shahbazian-Yassar, Reza and Zhao, Jin and Saidi, Wissam A
          The journal of physical chemistry letters, 2018, 9, 2972--2978, 11, ACS Publications
        163. Article: P3Cl2: A Unique Post-Phosphorene 2D Material with Superior Properties against Oxidization
          Lu, Ning and Zhuo, Zhiwen and Wang, Yi and Guo, Hongyan and Fa, Wei and Wu, Xiaojun and Zeng, Xiao Cheng
          The journal of physical chemistry letters, 2018, 0
        164. Article: Precise Control of Local Spin States in an Adsorbed Magnetic Molecule with an STM Tip: Theoretical Insights from First-Principles-Based Simulation
          Wang, Xiaoli and Yang, Longqing and Ye, LvZhou and Zheng, Xiao and Yan, YiJing
          The journal of physical chemistry letters, 2018, 9, 2418--2425, 9
        165. Article: Rational Design of Two-dimensional Anode Materials: B2S as a Strained Graphene
          Li, Pai and Li, Zhenyu and Yang, Jinlong
          The journal of physical chemistry letters, 2018, 9, 4852--4856, 17
        166. Article: Superatom Molecular Orbital as an Interfacial Charge Separation State
          Guo, Hongli and Zhao, Chuanyu and Zheng, Qijing and Lan, Zhenggang and Prezhdo, Oleg V. and Saidi, Wissam A. and Zhao, Jin
          The journal of physical chemistry letters, 2018, 0
        167. Article: Tuning Solvated Electrons by Polar-Nonpolar Oxide Heterostructure
          Wang, Yanan and Guo, Hongli and Zheng, Qijing and Saidi, Wissam A. and Zhao, Jin
          The journal of physical chemistry letters, 2018, 0
        168. Article: Effect of asymmetric morphology on coupling surface plasmon modes and generalized plasmon ruler
          Zhang, K. J. and Da, B. and Ding, Z. J.
          Ultramicroscopy, 2018, 185, 55--64, 0
        169. Article: Molecular dynamics simulations of ejecta production from sinusoidal tin surfaces under supported and unsupported shocks
          Wu, Bao and Wu, FengChao and Zhu, YinBo and Wang, Pei and He, AnMin and Wu, HengAn
          AIP Advances, 2018, 8, 045002, 4
        170. Article: Computational study of the electronic, optical and photocatalytic properties of single-layer hexagonal zinc chalcogenides
          Wang, Jiajun and Yang, Xintong and Cao, Jinrui and Wang, Ying and Li, Qunxiang
          Computational Materials Science, 2018, 150, 432--438, 0
        171. Article: Embedded atom method potentials for Ce-Ni binary alloy
          Lei, Yawei and Sun, Xiaorui and Zhou, Rulong and Zhang, Bo
          Computational Materials Science, 2018, 150, 1--8, 0
        172. Article: First-principles studies of effects of layer stacking, opposite atoms, and stacking order on two-photon absorption of two-dimensional layered silicon carbide
          Lan, You-Zhao
          Computational Materials Science, 2018, 151, 231--239, 0
        173. Article: The Effect of a Low-Frequency Structure on Passive Scalar Transport in the Flow Over a Surface-Mounted Rib
          Gu, Hailin and Liu, Minghou and Li, Xinlong and Huang, Hongjie and Wu, Yiqiang and Sun, Feiyang
          Flow, Turbulence and Combustion, 2018, 1--22, 0
        174. Article: Effect of the slip length on the flow over a hydrophobic circular cylinder
          Huang, Hongjie and Liu, Minghou and Gu, Hailin and Li, Xinlong and Wu, Xiaoqiang and Sun, Feiyang
          Fluid Dynamics Research, 2018, 50, 025515, 2
        175. Article: Absolute determination of optical constants of three transition metals using reflection electron energy loss spectroscopy
          Xu, H. and Yang, L. H. and Tóth, J. and T extbackslashHokési, K. and Da, B. and Ding, Z. J.
          Journal of Applied Physics, 2018, 123, 043306, 4
        176. Article: Atomic structure and dynamics properties of Cu50Zr50 films
          Chen, Heng and Qu, Bingyan and Li, Dongdong and Zhou, Rulong and Zhang, Bo
          Journal of Applied Physics, 2018, 123, 025307, 2
        177. Article: Novel compounds of cerium binary alloys from high-throughput first-principles calculations
          Sun, Xiaorui and Lei, Yawei and Zhou, Rulong and Zhang, Bo
          Journal of Applied Physics, 2018, 123, 235102, 23, AIP Publishing
        178. Article: Experimental and theoretical study of the valence electronic structure of propane by electron momentum spectroscopy
          Niu, Shanshan and Tang, Yaguo and Liu, Zhaohui and Shan, Xu and Chen, Xiangjun
          Journal of Electron Spectroscopy and Related Phenomena, 2018, 229, 52--60, 0
        179. Article: Monte Carlo simulation of Auger electron emission from thin film on substrate
          You, DS and Li, HM and Ding, ZJ
          Journal of Electron Spectroscopy and Related Phenomena, 2018, 222, 156--161, 0, Elsevier
        180. Article: Structural and electronic properties of CdSe/ZnS and ZnS/CdSe core/shell nanowires via first principles study
          Rehman, Shafiq Ur and Li, H. M. and Ding, Z. J.
          Journal of Physics and Chemistry of Solids, 2018, 116, 37--42, 0
        181. Article: Two-body fragmentation of OCS 3+: an ab initio molecular dynamics simulation study
          Yang, Hongjiang and Gong, Maomao and Dong, Wenxiu and Shen, Zhenjie and Wang, Enliang and Chen, Xiang-Jun
          Journal of Physics B: Atomic, Molecular and Optical Physics, 2018, 0
        182. Article: Magnetic and electronic properties of single-walled Mo2C nanotube: a first-principles study
          Jalil, Abdul and Sun, Zhongti and Wang, Dayong and Wu, Xiaojun
          Journal of Physics: Condensed Matter, 2018, 30, 155305, 15
        183. Article: Perfectly conducting graphene electronic waveguide with curved channels
          Mosallanejad, Vahid and Wang, Ke and Qiao, Zhenhua and Guo, Guoping
          Journal of Physics: Condensed Matter, 2018, 30, 325301, 32
        184. Article: Spatial and thickness dependence of coupling interaction of surface states and influence on transport and optical properties of few-layer Bi2Se3
          Li, Zhongjun and Chen, Shi and Sun, Jiuyu and Li, Xingxing and Qiu, Huaili and Yang, Jinlong
          Journal of Physics: Condensed Matter, 2018, 30, 065503, 6, IOP Publishing
        185. Article: Use of model-based library in critical dimension measurement by CD-SEM
          Zou, Y. B. and Khan, M. S. S. and Li, H. M. and Li, Y. G. and Li, W. and Gao, S. T. and Liu, L. S. and Ding, Z. J.
          Measurement, 2018, 123, 150--162, 0
        186. Article: A short review of nanographenes: structures, properties and applications
          Dai, Yafei and Liu, Yi and Ding, Kai and Yang, Jinlong
          Molecular Physics, 2018, 116, 987--1002, 7, Taylor & Francis
        187. Article: Accurate density functional prediction of molecular electron affinity with the scaling corrected Kohn–Sham frontier orbital energies
          Zhang, DaDi and Yang, Xiaolong and Zheng, Xiao and Yang, Weitao
          Molecular Physics, 2018, 1--8, 0
        188. Article: Analytical and simulation studies of 2D asymmetric simple exclusion process
          Ding, Zhong-Jun and Yu, Shao-Long and Zhu, Kongjin and Ding, Jian-Xun and Chen, Bokui and Shi, Qin and Lu, Xiao-Shan and Jiang, Rui and Wang, Bing-Hong
          Physica A: Statistical Mechanics and its Applications, 2018, 0
        189. Article: Mean-field analysis for Asymmetric Exclusion Processes on two parallel lattices with fully parallel dynamics
          Ding, Zhongjun and Liu, Teng and Lou, Xinxin and Shen, Zhiwei and Zhu, Kongjin and Jiang, Rui and Wang, Binghong and Chen, Bokui
          Physica A: Statistical Mechanics and its Applications, 2018, 0
        190. Article: NIMROD calculations of energetic particle driven toroidal Alfv'en eigenmodes
          Hou, Yawei and Zhu, Ping and Kim, Charlson C and Hu, Zhaoqing and Zou, Zhihui and Wang, Zhengxiong and NIMROD Team
          Physics of Plasmas, 2018, 25, 012501, 1, AIP Publishing
        191. Article: Structural transition of vortices to nonlinear regimes in a dusty plasma
          Laishram, Modhuchandra and Zhu, Ping
          Physics of Plasmas, 2018, 25, 103701, 10
        192. Article: Hybrid Density Functional Study of the Local Structures and Energy Levels of CaAl2O4: Ce3+
          Lou, Bibo and Jing, Weiguo and Lou, Liren and Zhang, Yongfan and Yin, Min and Duan, Chang-Kui
          The Journal of Physical Chemistry A, 2018, 122, 4306--4312, 17
        193. Article: A Molecular Dynamics Study of Carbon Dimerization on Cu (111) Surface with Optimized DFTB Parameters
          Di, Y. I. N. and Zongyang, Q. I. U. and Pai, L. I. and Zhenyu, L. I.
          Acta Physico-Chimica Sinca, 2018, 34, 1116--1123, 10
        194. Article: Structural, electronic and optical properties of bandgap-tunable Cu2ZnSixSn 1-xSe4 alloys
          Jibran, M. and Li, Z. Y. and Sun, X. and Wang, B. and Yamauchi, Y. and Ding, Z. J.
          Chemical Physics Letters, 2018, 0
        195. Article: An integrated model for predicting the flame propagation in crimped ribbon flame arresters
          Wang, Zheng and Sun, Bing and Huang, Qingshan and Jiang, Fuhua
          Chinese Journal of Chemical Engineering, 2018, 0, Elsevier
        196. Article: CFD study on double-to single-loop flow pattern transition and its influence on macro mixing efficiency in fully baffled tank stirred by a Rushton turbine
          Zhu, Quanhong and Xiao, Hang and Chen, Aqiang and Geng, Shujun and Huang, Qingshan
          Chinese Journal of Chemical Engineering, 2018, 0
        197. Article: Modeling of segregation in magnetized fluidized bed with binary mixture of Geldart-B magnetizable and nonmagnetizable particles
          Zhu, Quanhong and Li, Hongzhong and Zhu, Qingshan and Huang, Qingshan
          Chinese Journal of Chemical Engineering, 2018, 0
        198. Article: Electronic Transport Properties of Spin-Crossover Magnet Fe (II)-N4S2 Complexes
          Du, Ming-li and Hu, Yu-jie and Huang, Jing and Li, Qun-xiang
          Chinese Journal of Chemical Physics, 2018, 31, 33--38, 1, CPS
        199. Article: Quantum entanglement of parallel-coupled double quantum dots: A theoretical study using the hierarchical equations of motion approach
          Gong, Hong and Ullah, Arif and Ye, LvZhou and Zheng, Xiao and Yan, YiJing
          Chinese Journal of Chemical Physics, 2018, 31, 510, 4
        200. Article: Simulation study of electron beam induced surface plasmon excitation at nanoparticles
          Zheng, Zhe and Da, Bo and Zhang, Ke-jun and Ding, Ze-jun
          Chinese Journal of Chemical Physics, 2018, 31, 655, 5, Chinese Physical Society
        201. Article: Theoretical study of adsorption and dehydrogenation of C2H4 on Cu (410)
          Sun, Yangyunli and Zhang, Shuo and Zhang, Wen-hua and Li, Zhen-yu
          Chinese Journal of Chemical Physics, 2018, 31, 485--491, 4, CPS
        202. Article: 加速神經網絡勢能面的構建: 一種雜化的訓練算法
          張耀龍 and 周雪瑤 and 蔣彬
          Chinese Journal of Chemical Physics, 2018, 0
        203. Article: DFT investigation on the decomposition of dihydrogen-bonded methylamine-borane octamer
          Liu, Bingping and Yan, Shihai
          Computational and Theoretical Chemistry, 2018, 1127, 1--7, 0
        204. Article: Synthesis, structure and photophysical properties of dibenzofuran-fused boron dipyrromethenes
          Wu, Qinghua and Yuan, Jin and Yu, Changjiang and Wei, Yun and Mu, Xiaolong and Jiao, Lijuan and Hao, Erhong
          Journal of Porphyrins and Phthalocyanines, 2018, 1--10, 0
        205. Article: Bordered surfaces in the 3-sphere with maximum symmetry
          Wang, Chao and Wang, Shicheng and Zhang, Yimu and Zimmermann, Bruno
          Journal of Pure and Applied Algebra, 2018, 222, 2490--2504, 9, Elsevier
        206. Article: Spin-polarized electron transport in highly reduced MgFe2O4-δ
          Guo, Jianhui and Shi, Lei and Wu, Liang and Pan, Shiyou and Yuan, Xueyou and Zhao, Jiyin
          Materials Research Express, 2018, 5, 126301, 12
        207. Article: Quasi-direct numerical simulation of forced convection over a backward-facing step: Effect of Prandtl number
          Zhao, Pinghui and Ge, Zhihao and Zhu, Jiayin and Liu, Jiaming and Ye, Minyou
          Nuclear Engineering and Design, 2018, 335, 374--388, 0
        208. Article: Magnetic-field enhanced high-thermoelectric performance in topological Dirac semimetal Cd3As2 crystal
          Wang, Honghui and Luo, Xigang and Chen, Weiwei and Wang, Naizhou and Lei, Bin and Meng, Fanbao and Shang, Chao and Ma, Likuan and Wu, Tao and Dai, Xi
          Science Bulletin, 2018, 63, 411--418, 7
        209. Article: Mode-specific and bond-selective dissociative chemisorption of CHD 3 and CH 2 D 2 on Ni (111) revisited using a new potential energy surface
          Zhou, Xueyao and Jiang, Bin
          Science China Chemistry, 2018, 1--9, 0
        210. Article: Single atom accelerates ammonia photosynthesis
          Huang, Pengcheng and Liu, Wei and He, Zhihai and Xiao, Chong and Yao, Tao and Zou, Youming and Wang, Chengming and Qi, Zeming and Tong, Wei and Pan, Bicai
          Science China Chemistry, 2018, 1--10, 0
        211. Article: Two-dimensional ultraviolet spectroscopy of proteins
          Zhang, JinXiao and Sharman, Edward and Jiang, Jun
          Science China Chemistry, 2018, 61, 1099--1109, 9, Springer
        212. Article: Ir (III) 螯合物催化醚的硅氫化反應中負氫來源的機理研究
          張琪 and 劉奧 and 于海珠 and 傅堯
          化學學報, 2018, 76, 113--120, 2
        213. Article: 應用級聯運動方程方法研究并聯雙量子點的量子糾纏
          弓弘 and 葉綠洲 and 鄭曉 and 嚴以京
          化學物理學報, 2018, 31, 510--516, 4
        214. Article: Obtaining Intrinsically Occupied Free-Space Superatom States in an Encapsulated Ca2N Nanotube
          Abbas, Ghulam and Zhao, Songtao and Li, Zhenyu and Yang, Jinlong
          ACS Omega, 2018, 3, 11966--11971, 9
        215. Article: Prediction of Thermodynamically Stable Compounds of the Sc–N System under High Pressure
          Aslam, Muhammad Aamir and Ding, Z. J.
          ACS Omega, 2018, 3, 11477--11485, 9
        216. Article: A Density Functional Prediction of the Geometries, Stabilities, and Electronic Properties of Nanosize Cage-Like (InN) 2n (n= 6–27, 45, 54) Semiconductor Materials
          Zhao, Run-Ning and Han, Ju-Guang and Duan, Yuhua
          Advanced Theory and Simulations, 2018, 1, 1800001, 5
        217. Article: Single Photon Emission from Plasma Treated 2D Hexagonal Boron Nitride
          Xu, Zai-Quan and Elbadawi, Christopher and Tran, Toan Trong and Kianinia, Mehran and Li, Xiuling and Liu, Daobin and Hoffman, Timothy B. and Nguyen, Minh and Kim, Sejeong and Edgar, James H.
          arXiv preprint arXiv:1710.07010, 2018, 0
        218. Article: Flow-induced Density Fluctuation assisted Nucleation in Polyethylene
          Tang, Xiaoliang and Yang, Junsheng and Tian, Fucheng and Xu, Tingyu and Xie, Chun and Li, Liangbin
          arXiv preprint arXiv:1803.02568, 2018, 0
        219. Article: Universal Current Correlations Induced by the Majorana and Fermionic Andreev Bound States
          Zhang, Kunhua and Dong, Xinlong and Zeng, Junjie and Han, Yulei and Qiao, Zhenhua
          arXiv preprint arXiv:1806.00824, 2018, 0
        220. Article: Gapless spin liquid ground state of spin-1/2 J1-J2 Heisenberg model on square lattices
          Liu, Wen-Yuan and Dong, Shaojun and Wang, Chao and Han, Yongjian and An, Hong and Guo, Guang-Can and He, Lixin
          arXiv preprint arXiv:1806.07031, 2018, 0
        221. Article: Topological Zero-Line Modes in Folded Bilayer Graphene
          Hou, Tao and Chen, Guanghui and Tse, Wang-Kong and Zeng, Changgan and Qiao, Zhenhua
          arXiv preprint arXiv:1809.04036, 2018, 0
        222. Article: Stochastic Representation of Non-Markovian Fermionic Quantum Dissipation
          Han, Lu and Chernyak, Vladimir and Yan, Yun-An and Zheng, Xiao and Yan, YiJing
          arXiv preprint arXiv:1809.11016, 2018, 0
        223. Article: Realizing negative Poisson's ratio in unstressed spring networks
          Liu, Jun and Nie, Yunhuan and Tong, Hua and Xu, Ning
          arXiv preprint arXiv:1810.10768, 2018, 0
        224. Article: Thermodynamic and Elastic Properties of Magnesite at Mantle Conditions: First-Principles Calculations
          Yao, Chao and Wu, Zhongqing and Zou, Fan and Sun, Weidong
          Geochemistry, Geophysics, Geosystems, 2018, 19, 2719--2731, 8, Wiley Online Library
        225. Article: Deciphering the Modulation Essence of p Bands in Co-Based Compounds on Li-S Chemistry
          Zhou, Jianbin and Liu, Xiaojing and Zhu, Linqin and Zhou, Jie and Guan, Yong and Chen, Liang and Niu, Shuwen and Cai, Jinyan and Sun, Da and Zhu, Yongchun
          Joule, 2018, 0
        226. Article: Infrared Light-Driven CO2 Overall Splitting at Room Temperature
          Liang, Liang and Li, Xiaodong and Sun, Yongfu and Tan, Yuanlong and Jiao, Xingchen and Ju, Huanxin and Qi, Zeming and Zhu, Junfa and Xie, Yi
          Joule, 2018, 2, 1004--1016, 5
        227. Article: Sensitivity analysis of morphology on radiative properties of soot aerosols
          Luo, Jie and Zhang, Yongming and Zhang, Qixing and Wang, Feng and Liu, Jia and Wang, Jinjun
          Optics express, 2018, 26, A420--A432, 10

        2017年:212篇

        1. Article: BP5 monolayer with multiferroicity and negative Poisson’s ratio: a prediction by global optimization method
          Wang, Haidi and Li, Xingxing and Sun, Jiuyu and Liu, Zhao and Yang, Jinlong
          2D Materials, 2017, 4, 045020, 4, IOP Publishing
        2. Article: Co Nanoparticles Encapsulated in N-Doped Carbon Nanosheets: Enhancing Oxygen Reduction Catalysis without Metal–Nitrogen Bonding
          Zhang, Xinlei and Lin, Jingjing and Chen, Shuangming and Yang, Jia and Song, Li and Wu, Xiaojun and Xu, Hangxun
          ACS applied materials & interfaces, 2017, 9, 38499--38506, 44
        3. Article: Complete Separation of Carriers in the GeS/SnS Lateral Heterostructure by Uniaxial Tensile Strain
          Peng, Lei and Wang, Chan and Qian, Qi and Bi, Cheng and Wang, Sufan and Huang, Yucheng
          ACS applied materials & interfaces, 2017, 0
        4. Article: Enhanced activity for Hydrogen Evolution Reaction over CoFe Catalysts by Alloying with small amount of Pt
          Chen, Jitang and Yang, Yang and Su, Jianwei and Jiang, Peng and Xia, Guoliang and Chen, Qianwang
          ACS applied materials & interfaces, 2017, 9, 3596--3601, 4
        5. Article: Highly active Fe sites in ultrathin pyrrhotite Fe7S8 nanosheets realizing efficient electrocatalytic oxygen evolution
          Chen, Shichuan and Kang, Zhixiong and Zhang, Xiaodong and Xie, Junfeng and Wang, Hui and Shao, Wei and Zheng, XuSheng and Yan, Wensheng and Pan, Bicai and Xie, Yi
          ACS central science, 2017, 3, 1221--1227, 11, ACS Publications
        6. Article: Atomically Abrupt Topological p–n Junction
          Kim, Sung Hwan and Jin, Kyung-Hwan and Kho, Byung Woo and Park, Byeong-Gyu and Liu, Feng and Kim, Jun Sung and Yeom, Han Woong
          ACS nano, 2017, 11, 9671--9677, 10
        7. Article: Electrochemical Doping of Halide Perovskites with Ion Intercalation
          Jiang, Qinglong and Chen, Mingming and Li, Junqiang and Wang, Mingchao and Zeng, Xiaoqiao and Besara, Tiglet and Lu, Jun and Xin, Yan and Shan, Xin and Pan, Bicai
          ACS nano, 2017, 11, 1073--1079, 1
        8. Article: Infrared Nanoimaging Reveals the Surface Metallic Plasmons in Topological Insulator
          Yuan, Jian and Ma, Weiliang and Zhang, Lei and Lu, Yao and Zhao, Meng and Guo, Hongli and Zhao, Jin and Yu, Wenzhi and Zhang, Yupeng and Zhang, Kai and others
          ACS Photonics, 2017, 0, ACS Publications
        9. Article: Conjugated Microporous Polymer Nanosheets for Overall Water Splitting Using Visible Light
          Wang, Lei and Wan, Yangyang and Ding, Yanjun and Wu, Sikai and Zhang, Ying and Zhang, Xinlei and Zhang, Guoqing and Xiong, Yujie and Wu, Xiaojun and Yang, Jinlong
          Advanced Materials, 2017, 29, 38
        10. Article: Incorporating Pyrrolic and Pyridinic Nitrogen into a Porous Carbon made from C60 Molecules to Obtain Superior Energy Storage
          Tan, Ziqi and Ni, Kun and Chen, Guanxiong and Zeng, Wencong and Tao, Zhuchen and Ikram, Mujtaba and Zhang, Qiubo and Wang, Huijuan and Sun, Litao and Zhu, Xianjun
          Advanced Materials, 2017, 29, 8
        11. Article: Sodium-Ion Batteries: Improving the Rate Capability of 3D Interconnected Carbon Nanofibers Thin Film by Boron, Nitrogen Dual-Doping
          Wang, Min and Yang, Yang and Yang, Zhenzhong and Gu, Lin and Chen, Qianwang and Yu, Yan
          Advanced Science, 2017, 4, 4
        12. Article: Tin Oxide Crystals Exposed by Low-Energy $\$110$\$ Facets for Enhanced Electrochemical Heavy Metal Ions Sensing: X-ray Absorption Fine Structure Experimental Combined with Density-Functional Theory Ev
          Jin, Zhen and Yang, Meng and Chen, Shao-Hua and Liu, Jin-Huai and Li, Qun-Xiang and Huang, Xing-Jiu
          Analytical Chemistry, 2017, 89, 2613--2621, 4
        13. Article: Carbon dioxide electroreduction into syngas boosted by a partially delocalized charge in molybdenum sulfide selenide alloy monolayers
          Xu, Jiaqi and Li, Xiaodong and Liu, Wei and Sun, YF and Ju, ZY and Yao, Tao and Wang, CM and Ju, HX and Zhu, JF and Wei, SQ and others
          Angew. Chem. Int. Ed, 2017, 56, 9121--9125, 0
        14. Article: Enhanced Visible-Light Photocatalytic Activity of Bi 2 MoO 6 Nanoplates with Heterogeneous Bi 2 MoO 6-x@ Bi 2 MoO 6 Core-Shell Structure
          Guo, Jianhui and Shi, Lei and Zhao, Jiyin and Wang, Yang and Tang, Kaibin and Zhang, Wanqun and Xie, Changzheng and Yuan, Xueyou
          Applied Catalysis B: Environmental, 2017, 0
        15. Article: A multiphysics fully coupled modeling tool for the design and operation analysis of planar solid oxide fuel cell stacks
          Li, Ang and Song, Ce and Lin, Zijing
          Applied Energy, 2017, 190, 1234--1244, 0
        16. Article: Chromatin Accessibility Landscape of Cutaneous T Cell Lymphoma and Dynamic Response to HDAC Inhibitors
          Qu, Kun and Zaba, Lisa C. and Satpathy, Ansuman T. and Giresi, Paul G. and Li, Rui and Jin, Yonghao and Armstrong, Randall and Jin, Chen and Schmitt, Nathalie and Rahbar, Ziba
          Cancer Cell, 2017, 0
        17. Article: Mechanistic insights into tunable luminescence and persistent luminescence of the full-color-emitting BCNO phosphors
          Wang, Lei and Zhang, Jianhua and Qu, Bingyan and Wu, Qisheng and Zhou, Rulong and Li, Dongdong and Zhang, Bo and Ren, Mingxi and Zeng, Xiao Cheng
          Carbon, 2017, 122, 176--184, 0
        18. Article: Super-elasticity and deformation mechanism of three-dimensional pillared graphene network structures
          Wang, YongChao and Zhu, YinBo and Wang, FengChao and Liu, XiaoYi and Wu, HengAn
          Carbon, 2017, 118, 588--596, 0
        19. Article: Two-dimensional boron-doped graphyne nanosheet: A new metal-free catalyst for oxygen evolution reaction
          Kong, Xiangkai and Huang, Yimin and Liu, Qiangchun
          Carbon, 2017, 123, 558--564, 0
        20. Article: Electron-doped 1T-MoS2 via Interface Engineering for Enhanced Electrocatalytic Hydrogen Evolution
          Liu, Qin and Fang, Qi and Chu, Wangsheng and Wan, Yangyang and Li, Xiuling and Xu, Weiyu and Habib, Muhammad and Tao, Shi and Zhou, Yu and Liu, Daobin
          Chemistry of Materials, 2017, 0
        21. Article: Dual Effect in Fluorine-Doped Hematite Nanocrystals for Efficient Water Oxidation
          Xie, Junfeng and Liu, Weiwei and Xin, Jianping and Lei, Fengcai and Gao, Li and Qu, Haichao and Zhang, Xiaodong and Xie, Yi
          ChemSusChem, 2017, 0
        22. Article: Integration design platform of the CFETR
          Ye, Minyou and Wang, Zhongwei and Mao, Shifeng and Song, Yuntao and Liu, Xufeng and Chan, Vincent and Li, Jiangang
          Fusion Engineering and Design, 2017, 123, 87--90, 0, Elsevier
        23. Article: Concentration effect on equilibrium fractionation of Mg-Ca isotopes in carbonate minerals: Insights from first-principles calculations
          Wang, Wenzhong and Qin, Tian and Zhou, Chen and Huang, Shichun and Wu, Zhongqing and Huang, Fang
          Geochimica et Cosmochimica Acta, 2017, 208, 185--197, 0
        24. Article: Effect of Ca content on equilibrium Ca isotope fractionation between orthopyroxene and clinopyroxene
          Wang, Wenzhong and Zhou, Chen and Qin, Tian and Kang, Jin-Ting and Huang, Shichun and Wu, Zhongqing and Huang, Fang
          Geochimica et Cosmochimica Acta, 2017, 219, 44--56, 0
        25. Article: A Fe-P network-generation scheme to search for low-energy LiFePO4 crystal structures
          Lv, Xiaobao and Zhao, Xin and Wu, Shunqing and Wu, Ping and Sun, Yang and Nguyen, M. C. and Lin, Zijing and Wang, Cai Zhuang and Ho, Kai-Ming
          Journal of Materials Chemistry A, 2017, 0
        26. Article: Pt-like electrocatalytic behavior of Ru--MoO 2 nanocomposites for the hydrogen evolution reaction
          Jiang, Peng and Yang, Yang and Shi, Ruohong and Xia, Guoliang and Chen, Jitang and Su, Jianwei and Chen, Qianwang
          Journal of Materials Chemistry A, 2017, 5, 5475--5485, 11, Royal Society of Chemistry
        27. Article: Two-dimensional multilayer M 2 CO 2 (M= Sc, Zr, Hf) as photocatalysts for hydrogen production from water splitting: a first principles study
          Fu, Cen-Feng and Li, Xingxing and Luo, Qiquan and Yang, Jinlong
          Journal of Materials Chemistry A, 2017, 5, 24972--24980, 47
        28. Article: Stacking modular DNA circuitry in cascading self-assembly of spherical nucleic acids
          Yao, Dongbao and Xiao, Shiyan and Zhou, Xiang and Li, Hui and Wang, Bei and Wei, Bing and Liang, Haojun
          Journal of Materials Chemistry B, 2017, 5, 6256--6265, 31
        29. Article: Two-dimensional van der Waals heterojunctions for functional materials and devices
          Hu, Wei and Yang, Jinlong
          Journal of Materials Chemistry C, 2017, 0
        30. Article: Defect-Mediated Electron-Hole Separation in One-unit-cell ZnIn2S4 Layers for Boosted Solar-Driven CO2 Reduction
          Jiao, Xingchen and Chen, Zongwei and Li, Xiaodong and Sun, Yongfu and Gao, Shan and Yan, Wensheng and Wang, Chengming and Zhang, Qun and Lin, Yue and Luo, Yi
          Journal of the American Chemical Society, 2017, 0
        31. Article: Giant Electron--Hole Interactions in Confined Layered Structures for Molecular Oxygen Activation
          Wang, Hui and Chen, Shichuan and Yong, Dingyu and Zhang, Xiaodong and Li, Shuang and Shao, Wei and Sun, Xianshun and Pan, Bicai and Xie, Yi
          Journal of the American Chemical Society, 2017, 139, 4737--4742, 13, ACS Publications
        32. Article: Half-Metallicity in One-Dimensional Metal Trihydride Molecular Nanowires
          Li, Xiuling and Lv, Haifeng and Dai, Jun and Ma, Liang and Zeng, Xiao Cheng and Wu, Xiaojun and Yang, Jinlong
          Journal of the American Chemical Society, 2017, 139, 6290--6293, 18
        33. Article: Highly Efficient and Exceptionally Durable CO2 Photoreduction to Methanol over Freestanding Defective Single-Unit-Cell Bismuth Vanadate Layers
          Gao, Shan and Gu, Bingchuan and Jiao, Xingchen and Sun, Yongfu and Zu, Xiaolong and Yang, Fan and Zhu, Wenguang and Wang, Chengming and Feng, Zimou and Ye, Bangjiao
          Journal of the American Chemical Society, 2017, 139, 3438--3445, 9
        34. Article: Highly Efficient Photocatalytic Water Splitting over Edge-Modified Phosphorene Nanoribbons
          Hu, Wei and Lin, Lin and Zhang, Ruiqi and Yang, Chao and Yang, Jinlong
          Journal of the American Chemical Society, 2017, 139, 15429--15436, 43
        35. Article: Partially Oxidized SnS2 Atomic Layers Achieving Efficient Visible-Light-Driven CO2 Reduction
          Jiao, Xingchen and Li, Xiaodong and Jin, Xiuyu and Sun, Yongfu and Xu, Jiaqi and Liang, Liang and Ju, Huanxin and Zhu, Junfa and Pan, Yang and Yan, Wensheng and others
          Journal of the American Chemical Society, 2017, 139, 18044--18051, 49, ACS Publications
        36. Article: Conductive Tungsten Oxide Nanosheets for Highly Efficient Hydrogen Evolution
          Zheng, Tingting and Sang, Wei and He, Zhihai and Wei, Qiushi and Chen, Bowen and Li, Hongliang and Cao, Cong and Huang, Ruijie and Yan, Xupeng and Pan, Bicai
          Nano letters, 2017, 0
        37. Article: Phonon-Assisted Ultrafast Charge Transfer at van der Waals Heterostructure Interface
          Zheng, Qijing and Saidi, Wissam A. and Xie, Yu and Lan, Zhenggang and Prezhdo, Oleg V. and Petek, Hrvoje and Zhao, Jin
          Nano letters, 2017, 17, 6435--6442, 10
        38. Article: Room-Temperature Ferromagnetism in Two-Dimensional Fe2Si Nanosheet with Enhanced Spin-Polarization Ratio
          Sun, Yingjie and Zhuo, Zhiwen and Wu, Xiaojun and Yang, Jinlong
          Nano Letters, 2017, 17, 2771--2777, 5
        39. Article: Enhanced O2 reduction on atomically thin Pt-based nanoshells by integrating surface facet, interfacial electronic, and substrate stabilization effects
          Ye, Wei and Sun, Zhongti and Wang, Chengming and Ye, Mengshan and Ren, Chenhao and Long, Ran and Zheng, Xusheng and Zhu, Junfa and Wu, Xiaojun and Xiong, Yujie
          Nano Research, 2017, 1--14, 0
        40. Article: Water on silicene: A hydrogen bond-autocatalyzed physisorption–chemisorption–dissociation transition
          Hu, Wei and Li, Zhenyu and Yang, Jinlong
          Nano Research, 2017, 10, 2223--2233, 7
        41. Article: Layer-dependent electronic properties of phosphorene-like materials and phosphorene-based van der Waals heterostructures
          Huang, Y. C. and Chen, X. and Wang, C. and Peng, L. and Qian, Q. and Wang, S. F.
          Nanoscale, 2017, 0
        42. Article: Nanostructured topological state in bismuth nanotube arrays: inverting bonding–antibonding levels of molecular orbitals
          Jin, Kyung-Hwan and Jhi, Seung-Hoon and Liu, Feng
          Nanoscale, 2017, 9, 16638--16644, 43
        43. Article: Porous germanene as a highly efficient gas separation membrane
          Bian, Ang and Dai, Yafei and Yang, Jinlong
          Nanoscale, 2017, 9, 17505--17512, 44
        44. Article: Invariant wide bandgaps in honeycomb monolayer and single-walled nanotubes of IIB--VI semiconductors
          Ma, Xiaoxuan and Hu, Jun and Pan, Bicai
          Nanotechnology, 2017, 28, 355201, 35, IOP Publishing
        45. Article: Hydrogen-bearing iron peroxide and the origin of ultralow-velocity zones
          Liu, Jin and Hu, Qingyang and Kim, Duck Young and Wu, Zhongqing and Wang, Wenzhong and Xiao, Yuming and Chow, Paul and Meng, Yue and Prakapenka, Vitali B. and Mao, Ho-Kwang
          Nature, 2017, 551, 494, 7681
        46. Article: Atomic layer confined vacancies for atomic-level insights into carbon dioxide electroreduction
          Gao, Shan and Sun, Zhongti and Liu, Wei and Jiao, Xingchen and Zu, Xiaolong and Hu, Qitao and Sun, Yongfu and Yao, Tao and Zhang, Wenhua and Wei, Shiqiang
          Nature Communications, 2017, 8, 0
        47. Article: Bottom-up precise synthesis of stable platinum dimers on graphene
          Yan, Huan and Lin, Yue and Wu, Hong and Zhang, Wenhua and Sun, Zhihu and Cheng, Hao and Liu, Wei and Wang, Chunlei and Li, Junjie and Huang, Xiaohui
          Nature communications, 2017, 8, 1070, 0
        48. Article: Forming quasicrystals by monodisperse soft core particles
          Zu, Mengjie and Tan, Peng and Xu, Ning
          Nature communications, 2017, 8, 2089, 1, Nature Publishing Group
        49. Article: Ruthenium-cobalt nanoalloys encapsulated in nitrogen-doped graphene as active electrocatalysts for producing hydrogen in alkaline media
          Su, Jianwei and Yang, Yang and Xia, Guoliang and Chen, Jitang and Jiang, Peng and Chen, Qianwang
          Nature Communications, 2017, 8, 0
        50. Article: A highly selective visible light excitable boron dipyrromethene probe for cysteine over homocysteine and glutathione based on a Michael addition reaction
          Wu, Qinghua and Wu, Yangchun and Yu, Changjiang and Wang, Zhaoyun and Hao, Erhong and Jiao, Lijuan
          Sensors and Actuators B: Chemical, 2017, 253, 1079--1086, 0
        51. Article: Bionanofiber Assisted Decoration of Few-Layered MoSe2 Nanosheets on 3D Conductive Networks for Efficient Hydrogen Evolution
          Lai, Feili and Yong, Dingyu and Ning, Xueliang and Pan, Bicai and Miao, Yue-E and Liu, Tianxi
          Small, 2017, 13, 7, Wiley Online Library
        52. Article: ELUCID—Exploring the Local Universe with the reConstructed Initial Density Field. II. Reconstruction Diagnostics, Applied to Numerical Halo Catalogs
          Tweed, Dylan and Yang, Xiaohu and Wang, Huiyuan and Cui, Weiguang and Zhang, Youcai and Li, Shijie and Jing, YP and Mo, HJ
          The Astrophysical Journal, 2017, 841, 55, 1, IOP Publishing
        53. Article: Halo Intrinsic Alignment: Dependence on Mass, Formation Time, and Environment
          Xia, Qianli and Kang, Xi and Wang, Peng and Luo, Yu and Yang, Xiaohu and Jing, Yipeng and Wang, Huiyuan and Mo, Houjun
          The Astrophysical Journal, 2017, 848, 22, 1, IOP Publishing
        54. Article: Mid-infrared flare of TDE candidate PS16dtm: dust echo and implications for the spectral evolution
          Jiang, Ning and Wang, Tinggui and Yan, Lin and Xiao, Ting and Yang, Chenwei and Dou, Liming and Wang, Huiyuan and Cutri, Roc and Mainzer, Amy
          The Astrophysical Journal, 2017, 850, 63, 1, IOP Publishing
        55. Article: Numerical Study on Outflows in Seyfert Galaxies I: Narrow Line Region Outflows in NGC 4151
          Mou, Guobin and Wang, Tinggui and Yang, Chenwei
          The Astrophysical Journal, 2017, 844, 30, 1, IOP Publishing
        56. Article: Revealing the Cosmic Web-dependent Halo Bias
          Yang, Xiaohu and Zhang, Youcai and Lu, Tianhuan and Wang, Huiyuan and Shi, Feng and Tweed, Dylan and Li, Shijie and Luo, Wentao and Lu, Yi and Yang, Lei
          The Astrophysical Journal, 2017, 848, 60, 1, IOP Publishing
        57. Article: The Properties of the Massive Star-forming Galaxies with an Outside-in Assembly Mode
          Wang, Enci and Kong, Xu and Wang, Huiyuan and Wang, Lixin and Lin, Lin and Gao, Yulong and Liu, Qing
          The Astrophysical Journal, 2017, 844, 144, 2, IOP Publishing
        58. Article: Ultraviolet and Optical Emission Line Outflows in the Heavily Obscured Quasar SDSS J000610. 67+ 121501.2: At the Scale of the Dusty Torus and Beyond
          Zhang, Shaohua and Zhou, Hongyan and Shi, Xiheng and Pan, Xiang and Wang, Ji and Jiang, Ning and Ji, Tuo and Jiang, Peng and Liu, Wenjuan and Wang, Huiyuan
          The Astrophysical Journal, 2017, 836, 86, 1, IOP Publishing
        59. Article: Low-dimensional half-metallic materials: theoretical simulations and design
          Li, Xingxing and Yang, Jinlong
          Wiley Interdisciplinary Reviews: Computational Molecular Science, 2017, 7, 4, Wiley Online Library
        60. Article: A Comprehensive Study on Metal Triflate-Promoted Hydrogenolysis of Lactones to Carboxylic Acids: From Synthetic and Mechanistic Perspectives
          Zhu, Rui and Jiang, Ju-Long and Li, Xing-Long and Deng, Jin and Fu, Yao
          ACS Catalysis, 2017, 7, 7520--7528, 11
        61. Article: SAXS-Oriented Ensemble Refinement of Flexible Biomolecules
          Cheng, Peng and Peng, Junhui and Zhang, Zhiyong
          Biophysical Journal, 2017, 112, 1295--1301, 7
        62. Article: Enhanced thermoelectric properties and electronic structures of p-type BiCu 1- x Ag x SeO ceramics
          Sun, Yazhou and Zhang, Cencen and Cao, Chengming and Fu, Jianxin and Peng, Liangming
          Ceramics International, 2017, 43, 6117--6123, 8
        63. Article: Identifying the Active Sites on N-doped Graphene toward Oxygen Evolution Reaction
          Kong, Xiangkai and Liu, Qiangchun and Chen, Debao and Chen, Guilin
          ChemCatChem, 2017, 9, 846--852, 5
        64. Article: Gold-Doping of Double-Crown Pd Nanoclusters
          Chen, Jishi and Liu, Liren and Liu, Xu and Liao, Lingwen and Zhuang, Shengli and Zhou, Shiming and Yang, Jinlong and Wu, Zhikun
          Chemistry-A European Journal, 2017, 0
        65. Article: Mechanism and Origin of Stereoselectivity in Palladium-Catalyzed trans-Hydroboration of Internal 1, 3-Enynes with an Azaborine-Based Phosphine Ligand
          Yang, Yinuo and Jiang, Julong and Yu, Haizhu and Shi, Jing
          Chemistry-A European Journal, 2017, 0
        66. Article: Mechanistic Study on Nickel-Catalyzed Silylation of Aryl Methyl Ethers
          Wang, Bing and Zhang, Qi and Jiang, Julong and Yu, Haizhu and Fu, Yao
          Chemistry-A European Journal, 2017, 0
        67. Article: Mechanism of Nickel-catalysed Suzuki-Miyaura coupling of amides
          Zhengyang, Xu and Yu, Haizhu and Yao, Fu
          Chemistry–An Asian Journal, 2017, 0
        68. Article: Theoretical kinetic studies for low temperature oxidation of two typical methylcyclohexyl radicals
          Xing, Lili and Zhang, Lidong and Zhang, Feng and Jiang, Jun
          Combustion and Flame, 2017, 182, 216--224, 0
        69. Article: Role of disorder in determining the vibrational properties of mass-spring networks
          Nie, Yunhuan and Tong, Hua and Liu, Jun and Zu, Mengjie and Xu, Ning
          Frontiers of Physics, 2017, 12, 126301, 3, Springer
        70. Article: Effect of droplet diameter and global equivalence ratio on n-heptane spray auto-ignition
          Zhou, Taotao and Ye, Taohong and Zhu, Minming and Zhao, Majie and Chen, Jing
          Fuel, 2017, 187, 137--145, 0
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        71. Article: Anion Engineering on Free-Standing Two-Dimensional MoS2 Nanosheets toward Hydrogen Evolution
          Liu, Qilong and Liu, Qiangchun and Kong, Xiangkai
          Inorganic chemistry, 2017, 56, 11462--11465, 19
        72. Article: Anomalous packing state in Ce-Ga-Cu bulk metallic glasses
          Zhao, Y. and Li, D. D. and Qu, B. Y. and Zhou, R. L. and Zhang, B. and Sato, K.
          Intermetallics, 2017, 84, 25--29, 0
        73. Article: Multiscale transport mechanism of shale gas in micro/nano-pores
          Yu, Hao and Chen, Jie and Zhu, YinBo and Wang, FengChao and Wu, HengAn
          International Journal of Heat and Mass Transfer, 2017, 111, 1172--1180, 0
        74. Article: Large eddy simulation of reacting flow in a hydrogen jet into supersonic cross-flow combustor with an inlet compression ramp
          Zhao, Majie and Zhou, Taotao and Ye, Taohong and Zhu, Minming and Zhang, Hongda
          International Journal of Hydrogen Energy, 2017, 0
        75. Article: First principles study of c-axis strain effect on the magnetic structure and ferroelectricity in double perovskite Y 2 MnCrO 6
          Hao, Lin and Yong, DingYu and Xie, XiangNan and Wang, HaoRu and Lin, GuanKai and Pan, BiCai and Zhu, Hong
          Journal of Alloys and Compounds, 2017, 695, 1362--1367, 0
        76. Article: Thermal stabilities, electronic structures and optical properties of intrinsic defects and dopant cerium in Ca 4 F 2 Si 2 O 7
          Wen, Jun and Yeung, Yau-Yuen and Ning, Lixin and Duan, Chang-Kui and Huang, Yucheng and Zhang, Jie and Yin, Min
          Journal of Alloys and Compounds, 2017, 713, 28--37, 0
        77. Article: Highly selective hydrogenation of CO2 into formic acid on a nano-Ni catalyst at ambient temperature: Process, mechanisms and catalyst stability
          He, Chuan-Shu and Gong, Li and Zhang, Jie and He, Pan-Pan and Mu, Yang
          Journal of CO2 Utilization, 2017, 19, 157--164, 0, Elsevier
        78. Article: Geometric, electronic and optical properties of undoped and cerium-doped La5 (Si2+ xB1- x)(O13- xNx) solid solutions: A theoretical investigation
          Wen, Jun and Zhou, Qingqing and Ning, Lixin and Duan, Chang-Kui and Huang, Yucheng and Yin, Min and Yeung, Yau-Yuen
          Journal of Luminescence, 2017, 192, 1026--1032, 0
        79. Article: Theory and experiment studies of the 1, 4-bis (4-methoxylstyryl) benzene as a wavelength shifter of liquid scintillator
          Zheng, Zhanlong and Zhu, Jiayi and Bi, Yutie and Xu, Yewei and Zhang, Qianfeng and Zhang, Xing and Li, Junjiang and Zhang, Lin
          Journal of Luminescence, 2017, 183, 442--447, 0
        80. Article: Elastic–plastic properties of graphene engineered by oxygen functional groups
          Hou, Yuan and Zhu, YinBo and Liu, XiaoYi and Dai, ZhaoHe and Liu, LuQi and Wu, HengAn and Zhang, Zhong
          Journal of Physics D: Applied Physics, 2017, 50, 385305, 38
        81. Article: Galaxy groups in the low-redshift Universe
          Lim, SH and Mo, HJ and Lu, Yi and Wang, Huiyuan and Yang, Xiaohu
          Monthly Notices of the Royal Astronomical Society, 2017, 470, 2982--3005, 3, Oxford University Press
        82. Article: SDSS-IV MaNGA: environmental dependence of stellar age and metallicity gradients in nearby galaxies
          Zheng, Zheng and Wang, Huiyuan and Ge, Junqiang and Mao, Shude and Li, Cheng and Li, Ran and Mo, Houjun and Goddard, Daniel and Bundy, Kevin and Li, Hongyu and others
          Monthly Notices of the Royal Astronomical Society, 2017, 465, 4572--4588, 4, Oxford University Press
        83. Article: Application of an empirical saturation rule to TGLF to unify low-k and high-k turbulence dominated regimes
          Jian, Xiang and Chan, Vincent S. and Chen, Jiale and Li, Zeyu and Garofalo, Andrea M. and Zhuang, Ge
          Nuclear Fusion, 2017, 58, 016011, 1
        84. Article: Ideal MHD stability and characteristics of edge localized modes on CFETR
          Li, Ze-Yu and Chan, V. S. and Zhu, Yi-Ren and Jian, Xiang and Chen, Jia-Le and Cheng, Shi-Kui and Zhu, Ping and Xu, Xue-Qiao and Xia, Tian-Yang and Li, Guo-Qiang
          Nuclear Fusion, 2017, 58, 016018, 1
        85. Article: Optimization of CFETR baseline performance by controlling rotation shear and pedestal collisionality through integrated modeling
          Jian, Xiang and Chen, Jiale and Chan, Vincent S and Zhuang, Ge and Li, Guoqiang and Deng, Zhao and Shi, Nan and Xu, Guoliang and Staebler, Gary M and Guo, Wenfeng
          Nuclear Fusion, 2017, 57, 046012, 4, IOP Publishing
        86. Article: Resistive MHD modelling of quasi-single helicity state in the KTX regimes
          Luo, Bing and Zhu, Ping and Li, Hong and Liu, Wandong
          Nuclear Fusion, 2017, 0
        87. Article: Stabilizing effect of resistivity towards ELM-free H-mode discharge in lithium-conditioned NSTX
          Banerjee, Debabrata and Zhu, Ping and Maingi, Rajesh
          Nuclear Fusion, 2017, 57, 076005, 7
        88. Article: Validating the energy transport modeling of the DIII-D and EAST ramp up experiments using TSC
          Liu, Li and Guo, Yong and Chan, Vincent and Mao, Shifeng and Wang, Yifeng and Pan, Chengkang and Luo, Zhengping and Zhao, Hailin and Ye, Minyou
          Nuclear Fusion, 2017, 57, 066033, 6
        89. Article: Mechanistic Study of Copper-Catalyzed Decarboxylative C–N Cross-Coupling with Hypervalent Iodine Oxidant
          Yang, Yi-Nuo and Jiang, Ju-Long and Shi, Jing
          Organometallics, 2017, 0
        90. Article: Mechanistic Study on the Ruthenium-Catalyzed Terminal Alkyne Hydrochlorination
          Wang, Bing and Jiang, Ju-long and Yu, Hai-zhu and Fu, Yao
          Organometallics, 2017, 36, 523--529, 3
        91. Article: Theoretical Investigation on Nickel-Catalyzed Hydrocarboxylation of Alkynes Employing Formic Acid
          Jiang, Julong and Fu, Mingchen and Li, Cui and Shang, Rui and Fu, Yao
          Organometallics, 2017, 36, 2818--2825, 15, ACS Publications
        92. Article: Catalytic CO 2 reduction to valuable chemicals using NiFe-based nanoclusters: a first-principles theoretical evaluation
          Gong, Li and Chen, Jie-Jie and Mu, Yang
          Physical Chemistry Chemical Physics, 2017, 19, 28344--28353, 41
        93. Article: Controlling the ferroelectric and resistive switching properties of a BiFeO 3 thin film prepared using sub-5 nm dimension nanoparticles
          Shirolkar, Mandar M. and Li, Jieni and Dong, Xiaolei and Li, Ming and Wang, Haiqian
          Physical Chemistry Chemical Physics, 2017, 19, 26085--26097, 38
        94. Article: Correlation between the electronic structure, topologic structure and dynamic properties of liquid cerium
          Sun, Xiaorui and Zhou, Rulong and Zhang, B.
          Physical Chemistry Chemical Physics, 2017, 19, 30498--30503, 45
        95. Article: Dissociative chemisorption of methane on Ni (111) using a chemically accurate fifteen dimensional potential energy surface
          Zhou, Xueyao and Nattino, Francesco and Zhang, Yaolong and Chen, Jun and Kroes, Geert-Jan and Guo, Hua and Jiang, Bin
          Physical Chemistry Chemical Physics, 2017, 19, 30540--30550, 45
        96. Article: Embedded silicene nanostructures in partly-dehydrogenated polysilane
          Li, Xiuling and Zeng, Xiao Cheng and Wu, Xiaojun
          Physical Chemistry Chemical Physics, 2017, 19, 10401--10405, 16
        97. Article: Enhanced selective oxidation of h-BN nanosheet through a substrate-mediated localized charge effect
          Mao, Keke and Wu, Xiaojun and Yang, Jinlong
          Physical Chemistry Chemical Physics, 2017, 19, 4435--4439, 6
        98. Article: Identification of the protonation site of gaseous triglycine: the cis-peptide bond conformation as the global minimum
          Li, Hongbao and Jiang, Jun and Luo, Yi
          Physical Chemistry Chemical Physics, 2017, 19, 15030--15038, 23
        99. Article: Identification of the smallest peptide with a zwitterion as the global minimum: a first-principles study on arginine-containing peptides
          Li, Hongbao and Jiang, Jun and Luo, Yi
          Physical Chemistry Chemical Physics, 2017, 19, 12117--12126, 19
        100. Article: Probing electron transfer between hemin and riboflavin using a combination of analytical approaches and theoretical calculations
          Wang, Wen-Lan and Min, Yuan and Yu, Sheng-Song and Chen, Wei and Chen, Jie-Jie and Liu, Xiao-Yang and Yu, Han-Qing
          Physical Chemistry Chemical Physics, 2017, 19, 32580--32588, 48, Royal Society of Chemistry
        101. Article: Reversible switching of the spin state in a manganese phthalocyanine molecule by atomic nitrogen
          Sun, X. and Li, Z. Y. and Jibran, Muhammad and Pratt, Andrew and Yamauchi, Yasushi and Wang, Bing
          Physical Chemistry Chemical Physics, 2017, 0
        102. Article: Solvent effects on the triplet–triplet annihilation upconversion of diiodo-Bodipy and perylene
          Zhou, Qiaohui and Zhou, Miaomiao and Wei, Yaxiong and Zhou, Xiaoguo and Liu, Shilin and Zhang, Song and Zhang, Bing
          Physical Chemistry Chemical Physics, 2017, 19, 1516--1525, 2
        103. Article: Structural and dynamic properties of the C-terminal region of the Escherichia coli RNA chaperone Hfq: integrative experimental and computational studies
          Wen, Bin and Wang, Weiwei and Zhang, Jiahai and Gong, Qingguo and Shi, Yunyu and Wu, Jihui and Zhang, Zhiyong
          Physical Chemistry Chemical Physics, 2017, 19, 21152--21164, 31
        104. Article: Structural, electronic and mechanical properties of sp 3-hybridized BN phases
          Zhou, Rulong and Dai, Jun and Zeng, Xiao Cheng
          Physical Chemistry Chemical Physics, 2017, 19, 9923--9933, 15
        105. Article: Triplet–triplet annihilation upconversion kinetics of C 60–Bodipy dyads as organic triplet photosensitizers
          Wei, Yaxiong and Zhou, Miaomiao and Zhou, Qiaohui and Zhou, Xiaoguo and Liu, Shilin and Zhang, Song and Zhang, Bing
          Physical Chemistry Chemical Physics, 2017, 19, 22049--22060, 33
        106. Article: Absolute determination of optical constants by reflection electron energy loss spectroscopy
          Xu, H. and Da, B. and Tóth, J. and T extbackslashHokési, K. and Ding, Z. J.
          Physical Review B, 2017, 95, 195417, 19
        107. Article: Exotic spin phases in two-dimensional spin-orbit coupled models: Importance of quantum effects
          Wang, Chao and Gong, Ming and Han, Yongjian and Guo, Guangcan and He, Lixin
          Physical Review B, 2017, 96, 115119, 11
        108. Article: First-principles calculations and model analysis of plasmon excitations in graphene and graphene/hBN heterostructure
          Li, Pengfei and Ren, Xinguo and He, Lixin
          Physical Review B, 2017, 96, 165417, 16
        109. Article: Gate-tunable current partition in graphene-based topological zero lines
          Wang, Ke and Ren, Yafei and Deng, Xinzhou and Yang, Shengyuan A. and Jung, Jeil and Qiao, Zhenhua
          Physical Review B, 2017, 95, 245420, 24
        110. Article: Gradient optimization of finite projected entangled pair states
          Liu, Wen-Yuan and Dong, Shao-Jun and Han, Yong-Jian and Guo, Guang-Can and He, Lixin
          Physical Review B, 2017, 95, 195154, 19
        111. Article: Peculiar supersolid phases induced by frustrated tunneling in the extended Bose-Hubbard model
          Dong, Shao-Jun and Liu, Wenyuan and Zhou, Xiang-Fa and Guo, Guang-Can and Zhou, Zheng-Wei and Han, Yong-Jian and He, Lixin
          Physical Review B, 2017, 96, 045119, 4
        112. Article: Realization of quantum anomalous Hall effect in graphene from n- p codoping-induced stable atomic adsorption
          Deng, Xinzhou and Qi, Shifei and Han, Yulei and Zhang, Kunhua and Xu, Xiaohong and Qiao, Zhenhua
          Physical Review B, 2017, 95, 121410, 12
        113. Article: Spin-pairing correlations and spin polarization of Majorana bound states in two-dimensional topological-insulator systems
          Zhang, Kunhua and Zeng, Junjie and Ren, Yafei and Qiao, Zhenhua
          Physical Review B, 2017, 96, 085117, 8
        114. Article: Topological phase transition from trigonal warping in van der Waals multilayers
          Zeng, Junjie and Ren, Yafei and Zhang, Kunhua and Qiao, Zhenhua
          Physical Review B, 2017, 95, 045424, 4
        115. Article: Tunable current partition at zero-line intersection of quantum anomalous Hall topologies
          Ren, Yafei and Zeng, Junjie and Wang, Ke and Xu, Fuming and Qiao, Zhenhua
          Physical Review B, 2017, 96, 155445, 15
        116. Article: Search for the rare decays J/ψ→ D 0 e+ e-+ c. c. and ψ (3686)→ D 0 e+ e-+ c. c.
          Ablikim, M. and Achasov, M. N. and Ahmed, S. and Albrecht, M. and Amoroso, A. and An, F. F. and An, Q. and Bai, J. Z. and Bakina, O. and Ferroli, R. Baldini
          Physical Review D, 2017, 96, 111101, 11
        117. Article: Conformational inversion-topomerization mechanism of ethylcyclohexyl isomers and its role in combustion kinetics
          Bian, Huiting and Wang, Zhandong and Sun, Jinhua and Zhang, Feng
          Proceedings of the Combustion Institute, 2017, 36, 237--244, 1
        118. Article: Computational study on single molecular spectroscopy of tyrosin-glycine, tryptophane-glycine and glycine-tryptophane
          Yang, Bing and Liu, Shixue and Lin, Zijing
          Scientific reports, 2017, 7, 15869, 0
        119. Article: Design of Nano Screw Pump for Water Transport and its Mechanisms
          Wang, LiYa and Wu, HengAn and Wang, FengChao
          Scientific Reports, 2017, 7, 0
        120. Article: Computational investigation on the structures and electronic properties of the nanosized rhenium clusters
          Zhao, Run-Ning and Chen, Rui and Yuan, Yan-Hong and Han, Ju-Guang and Duan, Yuhua
          Solid State Ionics, 2017, 310, 24--29, 0, Elsevier
        121. Article: Insights into the Structure of Dimeric RNA Helicase CsdA and Indispensable Role of Its C-Terminal Regions
          Xu, Ling and Wang, Lijun and Peng, Junhui and Li, Fudong and Wu, Lijie and Zhang, Beibei and Lv, Mengqi and Zhang, Jiahai and Gong, Qingguo and Zhang, Rongguang and others
          Structure, 2017, 25, 1795--1808, 12, Elsevier
        122. Article: Structural and dynamic characteristics in monolayer square ice
          Zhu, YinBo and Wang, FengChao and Wu, HengAn
          The Journal of Chemical Physics, 2017, 147, 044706, 4
        123. Article: Superheating of monolayer ice in graphene nanocapillaries
          Zhu, YinBo and Wang, FengChao and Wu, HengAn
          The Journal of Chemical Physics, 2017, 146, 134703, 13
        124. Article: A Ligand-Dissociation-Involved Mechanism in Amide Formation of Monofluoroacylboronates with Hydroxylamines
          Jiang, Yuan-Ye and Wang, Chen and Liang, Yujie and Man, Xiaoping and Bi, Siwei and Fu, Yao
          The Journal of organic chemistry, 2017, 82, 1064--1072, 2
        125. Article: [a]-Phenanthrene-Fused BF2 Azadipyrromethene (AzaBODIPY) Dyes as Bright Near-Infrared Fluorophores
          Sheng, Wanle and Cui, Jiuen and Ruan, Zheng and Yan, Lifeng and Wu, Qinghua and Yu, Changjiang and Wei, Yun and Hao, Erhong and Jiao, Lijuan
          The Journal of organic chemistry, 2017, 82, 10341--10349, 19
        126. Article: Ab Initio Molecular Dynamics Study of Dissociative Chemisorption and Scattering of CO2 on Ni (100): Reactivity, Energy Transfer, Steering Dynamics, and Lattice Effects
          Zhou, Xueyao and Kolb, Brian and Luo, Xuan and Guo, Hua and Jiang, Bin
          The Journal of Physical Chemistry C, 2017, 121, 5594--5602, 10
        127. Article: DFT and SERS Study of 15N Full-Labeled Adenine Adsorption on Silver and Gold Surfaces
          Yao, Guohua and Zhai, Zhimin and Zhong, Jie and Huang, Qing
          The Journal of Physical Chemistry C, 2017, 121, 9869--9878, 18
        128. Article: Dominant Kinetic Pathways of Graphene Growth in Chemical Vapor Deposition: The Role of Hydrogen
          Li, Pai and Li, Zhenyu and Yang, Jinlong
          The Journal of Physical Chemistry C, 2017, 0
        129. Article: Electronic, Optical, and Mechanical Properties of Diamond Nanowires Encapsulated in Carbon Nanotubes: A First-Principles View
          Wang, Haidi and Li, Bin and Yang, Jinlong
          The Journal of Physical Chemistry C, 2017, 121, 3661--3672, 6
        130. Article: Thickness-Dependent Adsorption of Melamine on Cu/Au (111) Films
          Wang, Li and Li, Pai and Shi, Hexia and Li, Zhenyu and Wu, Kai and Shao, Xiang
          The Journal of Physical Chemistry C, 2017, 121, 7977--7984, 14, ACS Publications
        131. Article: High-dimensional atomistic neural network potentials for molecule–surface interactions: HCl scattering from Au (111)
          Kolb, Brian and Luo, Xuan and Zhou, Xueyao and Jiang, Bin and Guo, Hua
          The journal of physical chemistry letters, 2017, 8, 666--672, 3
        132. Article: Insight into Electronic and Structural Reorganizations for Defect-Induced VO2 Metal–Insulator Transition
          Wang, Xijun and Wang, Zhaowu and Zhang, Guozhen and Jiang, Jun
          The journal of physical chemistry letters, 2017, 8, 3129--3132, 13
        133. Article: Role of Surface Stress on the Reactivity of Anatase TiO2 (001)
          Shi, Yongliang and Sun, Huijuan and Saidi, Wissam A. and Nguyen, Manh Cuong and Wang, Cai Zhuang and Ho, Kaiming and Yang, Jinlong and Zhao, Jin
          The Journal of Physical Chemistry Letters, 2017, 8, 1764--1771, 8
        134. Article: Two-Dimensional Stoichiometric Boron Oxides as a Versatile Platform for Electronic Structure Engineering
          Zhang, Ruiqi and Li, Zhenyu and Yang, Jinlong
          The Journal of Physical Chemistry Letters, 2017, 8, 4347--4353, 18
        135. Article: Effect of Asymmetric Morphology on Coupling Surface Plasmon Modes and Generalized Plasmon Ruler
          Zhang, Kejun and Da, Bo and Ding, Z. J.
          Ultramicroscopy, 2017, 0
        136. Article: Insights from first principles graphene/g-C2N bilayer: gap opening, enhanced visible light response and electrical field tuning band structure
          Guan, Zhaoyong and Ni, Shuang
          Applied Physics A, 2017, 123, 678, 11
        137. Article: Theoretical Investigation on the ClBcat-Promoted Synthesis of Heterocyclic Boronic Esters
          Jiang, Julong and Zhang, Zhenqi and Fu, Yao
          Asian Journal of Organic Chemistry, 2017, 6, 282--289, 3
        138. Article: Excitonic effects on the optical response of monolayer and bilayer graphene-like silicon carbide
          Lan, You-Zhao
          Computational Materials Science, 2017, 138, 213--218, 0
        139. Article: First principles study on HenV clusters in α-Fe bulk and grain boundaries
          Bai, Yongan and Shi, Jingyi and Peng, Lei and Wu, Xuebang and Li, Liuliu
          Computational Materials Science, 2017, 139, 419--429, 0
        140. Article: Design of photobioreactors for mass cultivation of photosynthetic organisms
          Huang, Qingshan and Jiang, Fuhua and Wang, Lianzhou and Yang, Chao
          Engineering, 2017, 3, 318--329, 3
        141. Article: Large Eddy Simulation of Turbulent Premixed Swirling Flames Using Dynamic Thickened Flame with Tabulated Detailed Chemistry
          Zhang, Hongda and Ye, Taohong and Wang, Gaofeng and Tang, Peng and Liu, Minghou
          Flow, Turbulence and Combustion, 2017, 98, 841--885, 3
        142. Article: On the unsteady wake dynamics behind a circular disk using fully 3D proper orthogonal decomposition
          Yang, Jianzhi and Liu, Minghou and Wu, Guang and Gu, Hailin and Yao, Mengyun
          Fluid Dynamics Research, 2017, 49, 015510, 1, IOP Publishing
        143. Article: The growth mechanism of sulfuric acid clusters: Implication for the formation of cloud condensation nuclei
          Nie, Boli and Wang, Juan and Qu, Baohan and Sun, Lixiang and Yan, Shihai
          Journal of Aerosol Science, 2017, 114, 169--179, 0
        144. Article: Effect of grain boundaries on mechanical transverse wave propagations in graphene
          Xia, Jun and Zhu, YinBo and Wang, FengChao and Wu, HengAn
          Journal of Applied Physics, 2017, 121, 215105, 21
        145. Article: Structural evolution and atomic diffusion behavior in the Ce70Al10Cu20 melt under compression: A theoretical study using ab-initio molecular dynamics simulations
          Li, Dongdong and Chen, Heng and Sun, Xiaorui and Qu, Bingyan and Zhou, Rulong and Zhang, Bo
          Journal of Applied Physics, 2017, 122, 135106, 13, AIP Publishing
        146. Article: Monte Carlo simulation of Auger electron emission from thin film on substrate
          You, D. S. and Li, H. M. and Ding, Z. J.
          Journal of Electron Spectroscopy and Related Phenomena, 2017, 0
        147. Article: Asymmetric dipole distribution of single-file water molecules across nanochannels under high pressure gradient
          Zhang, Qi-Lin and Yang, Rong-Yao and Liu, Jian and Tao, Feng and Liu, Qi and Yu, Han-Wei
          Journal of Molecular Liquids, 2017, 0
        148. Article: Helium bubbles aggravated defects production in self-irradiated copper
          Wu, FengChao and Zhu, YinBo and Wu, Qiang and Li, XinZhu and Wang, Pei and Wu, HengAn
          Journal of Nuclear Materials, 2017, 496, 265--273, 0
        149. Article: Radiation damage in gallium-stabilized δ-plutonium with helium bubbles
          Wu, FengChao and Wang, Pei and Liu, XiaoYi and Wu, HengAn
          Journal of Nuclear Materials, 2017, 484, 7--15, 0
          //www.sciencedirect.com/science/article/pii/S0022311516303701
        150. Article: Dipole modes of a superfluid Bose–Fermi mixture in the BCS-BEC crossover
          Wen, Wen and Chen, Bingyan and Zhang, Xuewu
          Journal of Physics B: Atomic, Molecular and Optical Physics, 2017, 50, 035301, 3
        151. Article: Experimental and theoretical study on the dissociative photoionization of methyl methacrylate
          Sun, Ruirui and Meng, Qinghui and Wang, Ming and Fei, Weifei and Zhang, Yanmei and Chen, Jun and Fang, Wenzheng and Shan, Xiaobin and Liu, Fuyi and Sheng, Liusi
          Journal of Physics B: Atomic, Molecular and Optical Physics, 2017, 50, 235101, 23
        152. Article: Geometrical and electronic properties of nanosize semiconductor Pt 2 Si n (n= 10--20) material: A density functional theory investigation
          Zhao, Run-Ning and Chen, Rui and Lu, Zi-Chen and Han, Ju-Guang
          Materials Science and Engineering: B, 2017, 226, 151--157, 0, Elsevier
        153. Article: An all-atom molecular dynamics study of the anti-interferon signaling of Ebola virus: interaction mechanisms of EBOV VP24 binding to Karyopherin alpha5
          Ding, Jing-Na and Zhang, Yan-Jun and Zhong, Hui and Ao, Cheng-Cheng and Li, Jing and Han, Ju-Guang
          Molecular BioSystems, 2017, 13, 1031--1045, 5, Royal Society of Chemistry
        154. Article: Sterically Protected N2O-Type Benzopyrromethene Boron Complexes from Boronic Acids with Intense Red/Near-Infrared Fluorescence
          Chen, Na and Zhang, Wenjie and Chen, Shun and Wu, Qinghua and Yu, Changjiang and Wei, Yun and Xu, Yuekang and Hao, Erhong and Jiao, Lijuan
          Organic Letters, 2017, 19, 2026--2029, 8
        155. Article: Synthesis, Properties, and Semiconducting Characteristics of BF2 Complexes of β, β-Bisphenanthrene-Fused Azadipyrromethenes
          Sheng, Wanle and Zheng, Yu-Qing and Wu, Qinghua and Wu, Yayang and Yu, Changjiang and Jiao, Lijuan and Hao, Erhong and Wang, Jie-Yu and Pei, Jian
          Organic Letters, 2017, 0
        156. Article: Dual phase separation in a two-dimensional driven diffusive system
          Hao, Qing-Yi and Jiang, Rui and Hu, Mao-Bin and Jia, Bin
          Physics Letters A, 2017, 381, 1543--1547, 18
        157. Article: Enhanced toroidal flow stabilization of edge localized modes with increased plasma density
          Cheng, Shikui and Zhu, Ping and Banerjee, Debabrata
          Physics of Plasmas, 2017, 24, 092510, 9
        158. Article: Neoclassical toroidal viscosity torque in tokamak edge pedestal induced by external resonant magnetic perturbation
          Yan, Xingting and Zhu, Ping and Sun, Youwen
          Physics of Plasmas, 2017, 24, 082510, 8, AIP Publishing
        159. Article: Stabilizing effects of enhanced resistivity due to lithium-conditioning on low-n edge localized modes in NSTX
          Banerjee, Debabrata and Zhu, Ping and Maingi, Rajesh
          Physics of Plasmas, 2017, 24, 054501, 5
        160. Article: Exploration micromechanism of VP35 IID interaction and recognition dsRNA: A molecular dynamics simulation
          Zhang, Yan-Jun and Ding, Jing-Na and Zhong, Hui and Han, Ju-Guang
          Proteins: Structure, Function, and Bioinformatics, 2017, 85, 1008--1023, 6, Wiley Online Library
        161. Article: Enhanced photoelectrochemical performance of anatase TiO 2 for water splitting via surface codoping
          Wang, Jiajun and Huang, Jing and Meng, Jie and Li, Qunxiang and Yang, Jinlong
          RSC Advances, 2017, 7, 39877--39884, 63
        162. Article: First-principles study on intrinsic defects of SnSe
          Huang, Yucheng and Wang, Chan and Chen, Xi and Zhou, Danmei and Du, Jinyan and Wang, Sufan and Ning, Lixing
          RSC Advances, 2017, 7, 27612--27618, 44
        163. Article: Interaction of oxalic acid with dimethylamine and its atmospheric implications
          Chen, Jiao and Jiang, Shuai and Liu, Yi-Rong and Huang, Teng and Wang, Chun-Yu and Miao, Shou-Kui and Wang, Zhong-Quan and Zhang, Yang and Huang, Wei
          RSC Advances, 2017, 7, 6374--6388, 11
        164. Article: New phases of 3d-transition metal–cerium binary compounds: an extensive structural search
          Sun, Xiaorui and Lei, Yawei and Zhou, Rulong and Qu, Bingyan and Li, Dongdong and Zhang, Bo and Zeng, Xiao Cheng
          RSC Advances, 2017, 7, 40486--40498, 64
        165. Article: Single-and few-layer BiOI as promising photocatalysts for solar water splitting
          Wang, Jiajun and Zhang, Ming and Meng, Jie and Li, Qunxiang and Yang, Jinlong
          RSC Advances, 2017, 7, 24446--24452, 39
        166. Article: Transport properties of a three-shell icosahedral matryoshka cluster: a first-principles study
          Zhang, Lu and Huang, Jing and Wang, Weiyi and Li, Qunxiang and Yang, Jinlong
          RSC Advances, 2017, 7, 12704--12710, 21
        167. Article: Water desalination using nano screw pumps with a considerable processing rate
          Wang, LiYa and Wu, HengAn and Wang, FengChao
          RSC Advances, 2017, 7, 20360--20368, 33
        168. Article: First-Principles Study of Molecular Clusters Formed by Nitric Acid and Ammonia
          Ling, Jinfei and Ding, Xunlei and Li, Zhenyu and Yang, Jinlong
          The Journal of Physical Chemistry A, 2017, 121, 661--668, 3
        169. Article: Improving the Performance of Long-Range-Corrected Exchange-Correlation Functional with an Embedded Neural Network
          Liu, Qin and Wang, JingChun and Du, PengLi and Hu, LiHong and Zheng, Xiao and Chen, GuanHua
          The Journal of Physical Chemistry A, 2017, 121, 7273--7281, 38
        170. Article: Systematic Study on Hydrated Arginine: Clear Theoretical Evidence for the Canonical-to-Zwitterionic Structure Transition
          Li, Hongbao and Hu, Andong and Jiang, Jun and Luo, Yi
          The Journal of Physical Chemistry A, 2017, 121, 3598--3605, 18
        171. Article: Ultrafast Excited-State Dynamics of Cytosine Aza-Derivative and Analogues
          Zhou, Zhongneng and Zhou, Xueyao and Wang, Xueli and Jiang, Bin and Li, Yongle and Chen, Jinquan and Xu, Jianhua
          The Journal of Physical Chemistry A, 2017, 121, 2780--2789, 14
        172. Article: Insights into the reduction of 4-nitrophenol to 4-aminophenol on catalysts
          Kong, Xiangkai and Zhu, Hongying and Chen, ChangLe and Huang, Guangming and Chen, Qianwang
          Chemical Physics Letters, 2017, 684, 148--152, 0
        173. Article: Calculation of Surface Excitation Parameters by a Monte Carlo Method
          Zhenga, Zhe and Dab, Bo and Maoc, Shi-feng and Dingd, Ze-jun
          Chinese Journal of Chemical Physics, 2017, 30, 83--89, 1
        174. Article: Enhanced Water Oxidation Activity on Ni, Co-Doped Fe2O3 (0001) Surface
          Lua, Ning and Zhanga, Wen-hua and Wua, Xiao-jun
          Chinese Journal of Chemical Physics, 2017, 30, 5
        175. Article: Theoretical Simulations of Irradiation-Induced Sputtering at Tungsten Surface
          Hua, Xue-min and He, Hai-yan and Ding, Wen-yi and Ding, Ru and Chen, Jun-ling and Pan, Bi-cai
          Chinese Journal of Chemical Physics, 2017, 30, 77--82, 1
        176. Article: Systematic search of conformations of five tetrapeptides and a divide and conquer strategy for the predictions of peptide structures
          Yang, Bing and Lin, Zijing
          Computational and Theoretical Chemistry, 2017, 1108, 40--49, 0
        177. Article: Development of ramp up design workflow on CFETR Integrated Design Platform
          Liu, Li and Wang, Ming and Mao, Shifeng and Guo, Yong and Luo, Zhengping and Jian, Xiang and Liu, Xufeng and Zu, Chen and Chan, Vincent and Ye, Minyou
          Fusion Engineering and Design, 2017, 0
        178. Article: Development of CFETR Integration Design Platform: Modular Structure
          Ye, MY and Wang, SJ and Mao, SF and Wang, ZW and Xu, GL and Liu, XF and Zhang, JW and Chan, VS
          IEEE Transactions on Plasma Science, 2017, 45, 512--518, 3, IEEE
        179. Article: Molecular Dynamics Study: Effects of He Bubble and Cr Precipitate on Tensile Deformation of Grain Boundaries in $$ extbackslashbackslash$alpha $-Fe
          Shi, Jingyi and Peng, Lei and Ye, Minyou and Gao, Fei
          IEEE Transactions on Plasma Science, 2017, 45, 289--293, 2
        180. Article: Study on the instability in separating–reattaching flow over a surface-mounted rib
          Gu, Hailin and Yang, Jianzhi and Liu, Minghou
          International Journal of Computational Fluid Dynamics, 2017, 31, 109--121, 2
        181. Article: A memory-efficient staining algorithm in 3D seismic modelling and imaging
          Jia, Xiaofeng and Yang, Lu
          Journal of Applied Geophysics, 2017, 143, 62--73, 0
        182. Article: Molecular dynamics exploration of the binding mechanism and properties of single-walled carbon nanotube to WT and mutant VP35 FBP region of Ebola virus
          Zhang, Yan-Jun and Ding, Jing-Na and Zhong, Hui and Sun, Chang-Ping and Han, Ju-Guang
          Journal of biological physics, 2017, 43, 149--165, 1, Springer
        183. Article: A DFT study on the mechanism of the organocatalytic synthesis of a benzoxazine-substituted indolizine derivative
          Mao, Xin and Wang, Sufan and Shang, Yongjia
          Journal of Molecular Modeling, 2017, 23, 177, 6
        184. Article: CFD analysis of transverse flow in a wire-wrapped hexagonal seven-pin bundle
          Zhao, Pinghui and Liu, Jiaming and Ge, Zhihao and Wang, Xi and Cheng, Xu
          Nuclear Engineering and Design, 2017, 317, 146--157, 0
        185. Article: Band gap modulation and indirect to direct band gap transition in ZnS/Si and Si/ZnS core/shell nanowires
          Rehman, Shafiq Ur and Li, Z. Y. and Li, H. M. and Ding, Z. J.
          Physica B: Condensed Matter, 2017, 524, 163--172, 0
        186. Article: Ni 與 Co 摻雜 Fe 2 O 3 (0001) 表面增強析氧反應活性
          盧寧 and 張文華 and 武曉君
          化學物理學報, 2017, 30, 553--558, 5
        187. Article: 聚對苯撐乙炔低聚物吸收光譜的藍/紅移
          王素凡 and 黃玉成 and 周濤
          結構化學, 2017, 36, 549--561, 4
        188. Article: A Density-Functional Tight-Binding Model of Copper and Carbon
          Yin, Di and Li, Zhenyu
          , 2017, 0
        189. InProceedings: Two-dimensional magnetotelluric inversion based on GPU
          Du, Wei and Wu, Xiaoping
          , 2017, 1359--1362, 0, Society of Exploration Geophysicists and Chinese Petroleum Society
        190. Article: Rapid Adsorption Enables Interface Engineering of PdMnCo Alloy/Nitrogen-Doped Carbon as Highly Efficient Electrocatalysts for Hydrogen Evolution Reaction
          Zhang, Ruirui and Sun, Zhongti and Feng, Ruilu and Lin, Zhiyu and Liu, Haizhen and Li, Mengsi and Yang, Yang and Shi, Ruohong and Zhang, Wenhua and Chen, Qianwang
          ACS applied materials & interfaces, 2017, 9, 38419--38427, 44, ACS Publications
        191. Article: PyrrolylBODIPYs: Syntheses, Properties, and Application as Environment-Sensitive Fluorescence Probes
          Yu, Changjiang and Miao, Wei and Wang, Jun and Hao, Erhong and Jiao, Lijuan
          ACS Omega, 2017, 2, 3551--3561, 7
        192. Article: First-principles molecular dynamics study of deuterium diffusion in liquid tin
          Liu, Xiaohui and Zheng, Daye and Ren, Xinguo and He, Lixin and Chen, Mohan
          arXiv preprint arXiv:1701.03879, 2017, 0
        193. Article: Analytical and simulation studies of pedestrian flow at a crossing with random update rule
          Ding, Zhong-Jun and Yu, Shao-Long and Zhu, Kongjin and Ding, Jian-Xun and Chen, Bokui and Shi, Qin and Jiang, Rui and Wang, Bing-Hong
          arXiv preprint arXiv:1703.01039, 2017, 0
        194. Article: Bond-orientational Order Assisted Crystal Nucleation in Polyethylene
          Tang, Xiaoliang and Yang, Junsheng and Xu, Tingyu and Tian, Fucheng and Xie, Chun and Li, Liangbin
          arXiv preprint arXiv:1703.02355, 2017, 0
        195. Article: Origin of layer number dependent linear and nonlinear optical properties of two-dimensional graphene-like SiC
          Lan, You-Zhao
          arXiv preprint arXiv:1703.07430, 2017, 0
        196. Article: Spin Fluctuation Induced Linear Magnetoresistance in Ultrathin Superconducting FeSe Films
          Wang, Qingyan and Zhang, Wenhao and Chen, Weiwei and Xing, Ying and Sun, Yi and Wang, Ziqiao and Mei, Jia-Wei and Wang, Zhengfei and Wang, Lili and Ma, Xu-Cun
          arXiv preprint arXiv:1704.01005, 2017, 0
        197. Article: In-Plane Magnetization Induced Quantum Anomalous Hall Effect in Atomic Crystals of Group-V Elements
          ZHong, Peichen and Ren, Yafei and Han, Yulei and Zhang, Liyuan and Qiao, Zhenhua
          arXiv preprint arXiv:1706.01851, 2017, 0
        198. Article: ELUCID IV: Galaxy Quenching and its Relation to Halo Mass, Environment, and Assembly Bias
          Wang, Huiyuan and Mo, H. J. and Chen, Sihan and Yang, Yang and Yang, Xiaohu and Wang, Enci and Bosch, Frank C. and Jing, Yipeng and Kang, Xi and Lin, Weipeng
          arXiv preprint arXiv:1707.09002, 2017, 0
        199. Article: TNSPackage: A Fortran2003 library designed for tensor network state methods
          Dong, Shao-Jun and Liu, Wen-Yuan and Wang, Chao and Han, Yongjian and Guo, G. C. and He, Lixin
          arXiv preprint arXiv:1708.00136, 2017, 0
        200. Article: Current partition at zero-line intersection of quantum anomalous Hall topologies
          Ren, Yafei and Zeng, Junjie and Wang, Ke and Xu, Fuming and Qiao, Zhenhua
          arXiv preprint arXiv:1708.02700, 2017, 0
        201. Article: Competition Induced Spontaneous Resonant Annihilation of Turing Pattern
          Cong, C. and Ding, Z. J.
          arXiv preprint arXiv:1709.07347, 2017, 0
        202. Article: Observation of a cross-section enhancement near mass threshold in $ e extasciicircum$\$+$\$ e extasciicircum$\$-$\$$ extbackslashbackslash$to$ extbackslashbackslash$Lambda$ extbackslashbackslash$bar $
          Ablikim, M. and Achasov, M. N. and Ahmed, S. and Ai, X. C. and Albayrak, O. and Albrecht, M. and Ambrose, D. J. and Amoroso, A. and An, F. F. and An, Q.
          arXiv preprint arXiv:1709.10236, 2017, 0
        203. Article: Topological Dirac-Nodal-Line Semimetal Phase in High-Temperature Superconductor MgB2
          Jin, Kyung-Hwan and Huang, Huaqing and Mei, Jia-Wei and Liu, Zheng and Lim, Lih-King and Liu, Feng
          arXiv preprint arXiv:1710.06996, 2017, 0
        204. Article: Strong Edge Magnetism and Tunable Energy Gaps in Zigzag Graphene Quantum Dots with High Stability
          Hu, Wei and Huang, Yi and Lin, Lin and Kan, Erjun and Li, Xingxing and Yang, Chao and Yang, Jinlong
          arXiv preprint arXiv:1710.11300, 2017, 0
        205. Article: Evaluation of ideal MHD mode stability of CFETR baseline scenario
          Banerjee, Debabrata and Zhu, Ping and Cheng, Shikui and Yan, Xingting and Han, Rui and Zheng, Linjin and Team, The CFETR Physics
          arXiv preprint arXiv:1711.09043, 2017, 0
        206. Article: MHD stability analysis of ideal wall modes for CFETR upgrade phase-I scenario using NIMROD
          Cheng, Shikui and Zhu, Ping and Banerjee, Debabrata and Yan, Xingting
          arXiv preprint arXiv:1711.09044, 2017, 0
        207. Article: Bimodal Formation Time Distribution for Infall Dark Matter Halos
          Shi, Jingjing and Wang, Huiyuan and Mo, H. J. and Xie, Lizhi and Wang, Xiaoyu and Lapi, Andrea and Sheth, Ravi K.
          arXiv preprint arXiv:1712.00324, 2017, 0
        208. Article: Numerical Simulation of Heat Transfer Enhancement over a Surface-mounted Rib with Active Control
          Gu, Hailin and Li, Xinlong and Huang, Hongjie and Liu, Minghou
          Energy Procedia, 2017, 142, 4070--4076, 0, Elsevier
        209. Article: Monte Carlo Study on Electron Emission from Dielectric Materials
          Zhang, P.
          Journal of Computational and Theoretical Transport, 2017, 46, 330--345, 5
        210. Article: Elasticity of superhydrous phase B at the mantle temperatures and pressures: Implications for 800-km discontinuity and water flow into the lower mantle
          Yang, Dapeng and Wang, Wenzhong and Wu, Zhongqing
          Journal of Geophysical Research: Solid Earth, 2017, 0
        211. Article: Highly efficient synthesis of [60] fullerene oxides by plasma jet
          Jiang, Sheng-Peng and Duan, Shengxia and Liu, Kai-Qing and Yang, Xiao-Yu and Cheng, Cheng and Li, Jiaxing and Wang, Guan-Wu
          Open Science, 2017, 4, 170658, 9
        212. Article: Local structure order assisted two-step crystal nucleation in polyethylene
          Tang, Xiaoliang and Yang, Junsheng and Xu, Tingyu and Tian, Fucheng and Xie, Chun and Li, Liangbin
          Physical Review Materials, 2017, 1, 073401, 7

        2016年:138篇

        1. Article: Pt3Co Octapods as Superior Catalysts of CO2 Hydrogenation
          Khan, Munir Ullah and Wang, Liangbing and Liu, Zhao and Gao, Zehua and Wang, Shenpeng and Li, Hongliang and Zhang, Wenbo and Wang, Menglin and Wang, Zhengfei and Ma, Chao and others
          Angewandte Chemie, 2016, 0, Wiley Online Library
        2. Article: The Nanoparticle Size Effect in Graphene Cutting: A “Pac-Man” Mechanism
          Qiu, Zongyang and Song, Li and Zhao, Jin and Li, Zhenyu and Yang, Jinlong
          Angewandte Chemie, 2016, 0
          //onlinelibrary.wiley.com/doi/10.1002/ange.201602541/full
        3. Article: The Origin of Improved Electrical Double-Layer Capacitance by Inclusion of Topological Defects and Dopants in Graphene for Supercapacitors
          Chen, Jiafeng and Han, Yulei and Kong, Xianghua and Deng, Xinzhou and Park, Hyo Ju and Guo, Yali and Jin, Song and Qi, Zhikai and Lee, Zonghoon and Qiao, Zhenhua and others
          Angewandte Chemie International Edition, 2016, 55, 13822--13827, 44
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        4. Article: Ultrathin Co3O4 Layers Realizing Optimized CO2 Electroreduction to Formate
          Gao, Shan and Jiao, Xingchen and Sun, Zhongti and Zhang, Wenhua and Sun, Yongfu and Wang, Chengming and Hu, Qitao and Zu, Xiaolong and Yang, Fan and Yang, Shuyang and others
          Angewandte Chemie International Edition, 2016, 55, 698--702, 2
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        5. Article: Solar flux density calculation for a heliostat with an elliptical Gaussian distribution source
          Huang, Weidong and Sun, Lulening
          Applied Energy, 2016, 182, 434--441, 0
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        6. Article: Distinct molecule adsorption behaviors on warped nanographene C 80 H 30: A theoretical study
          Dai, Yafei and Li, Zhenyu and Yang, Jinlong
          Carbon, 2016, 100, 428--434, 0
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        7. Article: Interfacial strengthening and self-healing effect in graphene-copper nanolayered composites under shear deformation
          Liu, XiaoYi and Wang, FengChao and Wang, WenQiang and Wu, HengAn
          Carbon, 2016, 107, 680--688, 0
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        8. Article: Tuning electromechanics of dynamic ripple pattern in graphene monolayer
          Wu, HengAn and Liu, XiaoYi
          Carbon, 2016, 98, 510--518, 0
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        9. Article: Bimetal Doping in Nanoclusters: Synergistic or Counteractive?
          Yan, Nan and Liao, Lingwen and Yuan, Jinyun and Lin, Yue-jian and Weng, Lin-hong and Yang, Jinlong and Wu, Zhikun
          Chemistry of Materials, 2016, 28, 8240--8247, 22
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        10. Article: Synergistic effects towards H 2 oxidation on the Cu–CeO 2 electrode: a combination study with DFT calculations and experiments
          Wang, Shuang and Zheng, Minghao and Li, Mei and Wu, Xiaojun and Xia, Changrong
          Journal of Materials Chemistry A, 2016, 4, 5745--5754, 15
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        11. Article: Two-dimensional van der Waals nanocomposites as Z-scheme type photocatalysts for hydrogen production from overall water splitting
          Fu, Cen-Feng and Luo, Qiquan and Li, Xingxing and Yang, Jinlong
          Journal of Materials Chemistry A, 2016, 4, 18892--18898, 48
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        12. Article: Effects of interlayer coupling and electric fields on the electronic structures of graphene and MoS 2 heterobilayers
          Hu, Wei and Wang, Tian and Zhang, Ruiqi and Yang, Jinlong
          Journal of Materials Chemistry C, 2016, 4, 1776--1781, 9
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        13. Article: Influence of N-anion-doping on the production and the photoluminescence properties of γ-Ca 2 SiO 4: Ce 3+ phosphors and the β→ γ phase transformation
          Ji, Weiwei and Ye, Shifan and Lee, Ming-Hsien and Hao, Luyuan and Xu, Xin and Agathopoulos, Simeon and Zheng, Dewen and Fang, Chaohe and Huang, Yuanrui
          Journal of Materials Chemistry C, 2016, 4, 3313--3320, 15
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        14. Article: Two-Dimensional Phosphorous Porous Polymorphs with Tunable Band Gaps
          Zhuo, Zhiwen and Wu, Xiaojun and Yang, Jinlong
          Journal of the American Chemical Society, 2016, 0
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        15. Article: Cyclopolymerization of Disiloxane-Tethered Divinyl Monomers To Synthesize Chirality-Responsive Helical Polymers
          Li, Junjiang and Du, Min and Zhao, Zhongqiang and Liu, Hewen
          Macromolecules, 2016, 49, 445--454, 2
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        16. Article: Nitrogen-doping induced oxygen divacancies in freestanding molybdenum trioxide single-layers boosting electrocatalytic hydrogen evolution
          Liu, Katong and Zhang, Wenshuai and Lei, Fengcai and Liang, Liang and Gu, Bingchuan and Sun, Yongfu and Ye, Bangjiao and Ni, Wenxiu and Xie, Yi
          Nano Energy, 2016, 0
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        17. Article: Edge-modified phosphorene nanoflake heterojunctions as highly efficient solar cells
          Hu, Wei and Lin, Lin and Yang, Chao and Dai, Jun and Yang, Jinlong
          Nano letters, 2016, 16, 1675--1682, 3
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        18. Article: Blockage of ultrafast and directional diffusion of Li atoms on phosphorene with intrinsic defects
          Zhang, Ruiqi and Wu, Xiaojun and Yang, Jinlong
          Nanoscale, 2016, 8, 4001--4006, 7
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        19. Article: Enhanced CO oxidation on CeO 2/Co 3 O 4 nanojunctions derived from annealing of metal organic frameworks
          Wang, Changlai and Wang, Dongdong and Yang, Yang and Li, Ren and Chen, Changle and Chen, Qianwang
          Nanoscale, 2016, 8, 19761--19768, 47
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        20. Article: From Isosuperatoms to Isosupermolecules: New Concepts in Cluster Science
          Liu, Liren and Li, Pai and Yuan, Lan-Feng and Cheng, Longjiu and Yang, Jinlong
          Nanoscale, 2016, 0
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        21. Article: Mn2C Monolayer: A 2D Antiferromagnetic Metal with High Néel Temperature and Large Spin-Orbit Coupling
          Hu, Lin and Wu, Xiaojun and Yang, Jinlong
          Nanoscale, 2016, 0
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        22. Article: New structures of bilayer germanium nanosheets predicted by a particle swarm optimization method
          Li, Dongdong and Li, Pengfei and Qu, Bingyan and Pan, B. C. and Zhang, B. and He, H. Y. and Zhou, Rulong
          Nanoscale, 2016, 8, 16467--16474, 36
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        23. Article: Point defects in lines in single crystalline phosphorene: directional migration and tunable band gaps
          Li, Xiuling and Ma, Liang and Wang, Dayong and Zeng, Xiao Cheng and Wu, Xiaojun and Yang, Jinlong
          nanoscale, 2016, 8, 17801--17808, 41
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        24. Article: The effect of external magnetic fields on the catalytic activity of Pd nanoparticles in Suzuki cross-coupling reactions
          Gao, Lei and Wang, Changlai and Li, Ren and Li, Ran and Chen, Qianwang
          Nanoscale, 2016, 8, 8355--8362, 15
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        25. Article: Transformation between divacancy defects induced by an energy pulse in graphene
          Xia, Jun and Liu, XiaoYi and Zhou, Wei and Wang, FengChao and Wu, HengAn
          Nanotechnology, 2016, 27, 274004, 27
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        26. Article: Quantum spin Hall phase in 2D trigonal lattice
          Wang, ZF and Jin, Kyung-Hwan and Liu, Feng
          Nature Communications, 2016, 7, 0, Nature Research
        27. Article: Topological edge states in a high-temperature superconductor FeSe/SrTiO3 (001) film
          Wang, ZF and Zhang, Huimin and Liu, Defa and Liu, Chong and Tang, Chenjia and Song, Canli and Zhong, Yong and Peng, Junping and Li, Fangsen and Nie, Caina and others
          Nature Materials, 2016, 15, 968--973, 9, Nature Research
        28. Article: Gate-controlled topological conducting channels in bilayer graphene
          Li, Jing and Wang, Ke and McFaul, Kenton J. and Zern, Zachary and Ren, Yafei and Watanabe, Kenji and Taniguchi, Takashi and Qiao, Zhenhua and Zhu, Jun
          Nature Nanotechnology, 2016, 11, 1060--1065, 12
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        29. Article: Measurement of Singly Cabibbo Suppressed Decays Λ c+→ p π+ π- and Λ c+→ p K+ K-
          Ablikim, M. and Achasov, M. N. and Ahmed, S. and Ai, X. C. and Albayrak, O. and Albrecht, M. and Ambrose, D. J. and Amoroso, A. and An, F. F. and An, Q. and others
          Physical Review Letters, 2016, 117, 232002, 23
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        30. Article: Topological phases in two-dimensional materials: a review
          Ren, Yafei and Qiao, Zhenhua and Niu, Qian
          Reports on Progress in Physics, 2016, 79, 066501, 6, IOP Publishing
        31. Article: Shape-dependent internalization kinetics of nanoparticles by membranes
          Chen, Liping and Xiao, Shiyan and Zhu, Hong and Wang, Lei and Liang, Haojun
          Soft matter, 2016, 12, 2632--2641, 9
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        32. Article: Numerical analysis of turbulent round jet impingement heat transfer at high temperature difference
          Zhou, Taotao and Xu, Dong and Chen, Jing and Cao, Changmin and Ye, Taohong
          Applied Thermal Engineering, 2016, 100, 55--61, 0
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        33. Article: Structure, temperature effect and bonding order analysis of hydrated bromide clusters
          Wen, Hui and Huang, Teng and Liu, Yi-Rong and Jiang, Shuai and Peng, Xiu-Qiu and Miao, Shou-Kui and Wang, Chun-Yu and Hong, Yu and Huang, Wei
          Chemical Physics, 2016, 479, 129--142, 0
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        34. Article: Study of sonic injection from circular injector into a supersonic cross-flow using large eddy simulation
          Zhao, Majie and Ye, Taohong and Cao, Changmin and Zhou, Taotao and Zhu, Minming
          International Journal of Hydrogen Energy, 2016, 41, 17657--17669, 39
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        35. Article: Stagnation of a droplet on a conical substrate determined by the critical curvature ratio
          Li, YingQi and Wu, HengAn and Wang, FengChao
          Journal of Physics D: Applied Physics, 2016, 49, 085304, 8
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        36. Article: Mechanism of Vanadium-Catalyzed Deoxydehydration of Vicinal Diols: Spin-Crossover-Involved Processes
          Jiang, Yuan-Ye and Jiang, Ju-Long and Fu, Yao
          Organometallics, 2016, 35, 3388--3396, 19
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        37. Article: A first-principles study of the thermodynamic and electronic properties of Mg and MgH 2 nanowires
          Wu, Xinxing and Zhang, Ruiqi and Yang, Jinlong
          Physical Chemistry Chemical Physics, 2016, 18, 19412--19419, 28
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        38. Article: AB-stacked square-like bilayer ice in graphene nanocapillaries
          Zhu, YinBo and Wang, FengChao and Bai, Jaeil and Zeng, Xiao Cheng and Wu, HengAn
          Physical Chemistry Chemical Physics, 2016, 18, 22039--22046, 32
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        39. Article: Distribution and self-assisted diffusion of Be and Mg impurities in ZnO
          Yong, Dingyu and He, Haiyan and Tang, Zikang and Pan, Bicai
          Physical Chemistry Chemical Physics, 2016, 18, 19631--19636, 29
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        40. Article: Examining Structural Evolution of Bicarbonate-Water Clusters: Insights from Photoelectron Spectroscopy, Basin-Hopping Structural Search, and Comparison with Available IR Spectra Studies
          Wen, Hui and Hou, Gao-Lei and Liu, Yi-Rong and Wang, Xue-Bin and Huang, Wei
          Physical Chemistry Chemical Physics, 2016, 0
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        41. Article: Fe–Si networks in Na 2 FeSiO 4 cathode materials
          Wu, P. and Wu, S. Q. and Lv, X. and Zhao, X. and Ye, Z. and Lin, Z. and Wang, C. Z. and Ho, K. M.
          Physical Chemistry Chemical Physics, 2016, 18, 23916--23922, 34
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        42. Article: Observation of nanotwinning and room temperature ferromagnetism in sub-5 nm BiFeO 3 nanoparticles: a combined experimental and theoretical study
          Shirolkar, Mandar M. and Dong, Xiaolei and Li, Jieni and Yin, Shiliu and Li, Ming and Wang, Haiqian
          Physical Chemistry Chemical Physics, 2016, 18, 25409--25420, 36
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        43. Article: Solvent Effect on Triplet-Triplet Annihilation Upconversion of diiodo-Bodipy and Perylene
          Qiaohui, ZHOU and Zhou, Miaomiao and Wei, Yaxiong and Xiaoguo, ZHOU and Liu, Shilin and Zhang, Song and Zhang, Bing
          Physical Chemistry Chemical Physics, 2016, 0
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        44. Article: The formation of H bubbles at small-angle tilt grain boundaries in W films
          He, Zhihai and He, H. Y. and Ding, R. and Pan, B. C. and Chen, J. L.
          Physical Chemistry Chemical Physics, 2016, 18, 33103--33108, 48
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        45. Article: The influence of liquid Pb–Bi on the anti-corrosion behavior of Fe 3 O 4: a first-principles study
          Li, Dongdong and Qu, Bingyan and He, H. Y. and Zhang, Y. G. and Xu, Yichun and Pan, B. C. and Zhou, Rulong
          Physical Chemistry Chemical Physics, 2016, 18, 7789--7796, 11
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        46. Article: Towards an accurate specific reaction parameter density functional for water dissociation on Ni (111): RPBE versus PW91
          Jiang, Bin and Guo, Hua
          Physical Chemistry Chemical Physics, 2016, 18, 21817--21824, 31
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        47. Article: Two-dimensional interlocked pentagonal bilayer ice: how do water molecules form a hydrogen bonding network?
          Zhu, Weiduo and Zhao, Wen-Hui and Wang, Lu and Yin, Di and Jia, Min and Yang, Jinlong and Zeng, Xiao Cheng and Yuan, Lan-Feng
          Physical Chemistry Chemical Physics, 2016, 18, 14216--14221, 21
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        48. Article: Quantum anomalous Hall effect in atomic crystal layers from in-plane magnetization
          Ren, Yafei and Zeng, Junjie and Deng, Xinzhou and Yang, Fei and Pan, Hui and Qiao, Zhenhua
          Physical Review B, 2016, 94, 085411, 8
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        49. Article: Theoretical studies for reaction kinetics of cy-C 6 H 11 CH 2 radical with O 2
          Xing, Lili and Zhang, Feng and Zhang, Lidong
          Proceedings of the Combustion Institute, 2016, 0
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        50. Article: Coupling 2D thermal and 3D optical model for performance prediction of a parabolic trough solar collector
          Huang, Weidong and Xu, Qian and Hu, Peng
          Solar Energy, 2016, 139, 365--380, 0
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        51. Article: ELUCID—EXPLORING THE LOCAL UNIVERSE WITH RECONSTRUCTED INITIAL DENSITY FIELD. III. CONSTRAINED SIMULATION IN THE SDSS VOLUME
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          The Astrophysical Journal, 2016, 831, 164, 2
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        52. Article: Buckling failure of square ice-nanotube arrays constrained in graphene nanocapillaries
          Zhu, YinBo and Wang, FengChao and Wu, HengAn
          The Journal of Chemical Physics, 2016, 145, 054704, 5
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        53. Article: Electron-hole pair effects in methane dissociative chemisorption on Ni (111)
          Luo, Xuan and Jiang, Bin and Juaristi, J. I?aki and Alducin, Maite and Guo, Hua
          The Journal of Chemical Physics, 2016, 145, 044704, 4
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        54. Article: Quantum dynamics of water dissociative chemisorption on rigid Ni (111): An approximate nine-dimensional treatment
          Jiang, Bin and Song, Hongwei and Yang, Minghui and Guo, Hua
          The Journal of chemical physics, 2016, 144, 164706, 16
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        55. Article: Aromatic-ring-fused BOPHYs as Stable Red Fluorescent Dyes
          Wang, Jun and Wu, Qinghua and Yu, Changjiang and Wei, Yun and Mu, Xiaolong and Hao, Erhong and Jiao, Lijuan
          The Journal of Organic Chemistry, 2016, 0
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        56. Article: Red to Near-Infrared Isoindole BODIPY Fluorophores: Synthesis, Crystal Structures, and Spectroscopic and Electrochemical Properties
          Yu, Changjiang and Wu, Qinghua and Wang, Jun and Wei, Yun and Hao, Erhong and Jiao, Lijuan
          The Journal of organic chemistry, 2016, 81, 3761--3770, 9
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        57. Article: Three-Dimensional Covalently Linked Allotropic Structures of Phosphorus
          Zhuo, Zhiwen and Wu, Xiaojun and Yang, Jinlong
          The Journal of Physical Chemistry C, 2016, 0
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        58. Article: First-Principles Study on Doping of SnSe2 Monolayers
          Huang, YuCheng and Zhou, Danmei and Chen, Xi and Liu, Hai and Wang, Chan and Wang, Sufan
          ChemPhysChem, 2016, 17, 375--379, 3
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        59. Article: The binding mechanism of a novel nicotinamide isostere inhibiting with TNKSs: a molecular dynamic simulation and binding free energy calculation
          Feng, Ting-Ting and Zhang, Yan-Jun and Chen, H. and Fan, Song and Han, Ju-Guang
          Journal of Biomolecular Structure and Dynamics, 2016, 34, 3
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        60. Article: Ab-initio study on the structural and spectral properties of Ce 3+ in strontium silicates phosphors
          Cheng, Jun and Cai, Jiajia and Wen, Jun and Chen, Yonghu and Yin, Min and Duan, Changkui
          Journal of Luminescence, 2016, 177, 337--341, 0
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        61. Article: Effects of vacancies on valence stabilities of europium ions in β-Ca2SiO4: Eu phosphors
          Wen, Jun and Yeung, Yau-Yuen and Ning, Lixin and Duan, Chang-Kui and Huang, Yucheng and Zhang, Jie and Yin, Min
          Journal of Luminescence, 2016, 0
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          He, Zhihai and He, H. Y. and Pan, B. C.
          Journal of Nuclear Materials, 2016, 478, 222--226, 0
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        63. Article: Metal-Free Direct α-Selective Arylation of Boron Dipyrromethenes via Base-Mediated C–H Functionalization
          Zhou, Xin and Wu, Qinghua and Yu, Yang and Yu, Changjiang and Hao, Erhong and Wei, Yun and Mu, Xiaolong and Jiao, Lijuan
          Organic letters, 2016, 18, 736--739, 4
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        64. Article: A method of characterizing network topology based on the breadth-first search tree
          Zhou, Bin and He, Zhe and Wang, Nianxin and Wang, Bing-Hong
          Physica A: Statistical Mechanics and its Applications, 2016, 450, 682--686, 0
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        65. Article: Influence of synchronized traffic light on the states of bus operating system
          Ge, Shi-Gong and Ding, Zhong-Jun and Jiang, Rui and Shi, Qin and Kühne, Reinhart and Long, Jiancheng and Ding, Jian-Xun and Wang, Bing-Hong
          Physica A: Statistical Mechanics and its Applications, 2016, 453, 9--23, 0
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        66. Article: Rational Ligand Design for an Efficient Biomimetic Water Splitting Complex
          Xu, Penglin and Zhou, Ting and Intan, Nadia Natalia and Hu, Shaojin and Zheng, Xiao
          The Journal of Physical Chemistry A, 2016, 0
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        67. Article: Vibrational Effects on Electron Momentum Distributions of Outer-Valence Orbitals of Oxetane
          Tang, Yaguo and Shan, Xu and Yang, Jing and Niu, Shanshan and Zhang, Zhe and Watanabe, Noboru and Yamazaki, Masakazu and Takahashi, Masahiko and Chen, Xiangjun
          The Journal of Physical Chemistry A, 2016, 120, 6855--6863, 34
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          Zhang, Qi-Lin and Yang, Rong-Yao
          Chemical Physics Letters, 2016, 644, 201--204, 0
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        69. Article: Electronic Structures and Thermoelectric Properties of Two-Dimensional MoS2/MoSe2 Heterostructures
          Wu, Tian-min and Xu, Rui-xue and Zheng, Xiao and Zhuang, Wei
          Chinese Journal of Chemical Physics, 2016, 29, 445--452, 4
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        70. Article: Virtual Screening of Human O-GlcNAc Transferase Inhibitors
          Zhou, Qing-tong and Liang, Hao-jun and Shakhnovich, Eugene
          Chinese Journal of Chemical Physics, 2016, 29, 374--380, 3
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          He, Qingyun and Feng, Jingchao and Chen, Hongli
          Fusion Engineering and Design, 2016, 103, 45--52, 0
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        72. Article: Numerical analysis and optimization of 3D magnetohydrodynamic flows in rectangular U-bend
          He, Qingyun and Feng, Jingchao and Chen, Hongli
          Fusion Engineering and Design, 2016, 0
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        73. Article: Numerical Investigation of Liquid Metal Magneto-Convection in a Squared Enclosure Based on OpenFOAM
          Feng, Jingchao and Chen, Hongli and He, Qingyun and Ye, Minyou
          Journal of Fusion Energy, 2016, 35, 498--504, 3
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        74. Article: DFT investigation on dihydrogen-bonded amine-borane complexes
          Yan, Shihai and Zou, Hongmei and Kang, Wukui and Sun, Lixiang
          Journal of molecular modeling, 2016, 22, 1--10, 1
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          Yan, Shihai and Kang, Baotao and Lee, Jin Yong and Sun, Lixiang
          Journal of molecular modeling, 2016, 22, 1--11, 7
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          Zhang, K. J. and Da, B. and Ding, Z. J.
          Surface and Interface Analysis, 2016, 48, 1256--1262, 11
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        77. InProceedings: (Invited) Entrapping a Group-VB Transition Metal, Vanadium, within an Endohedral Metallofullerene
          Yang, Shangfeng
          229th ECS Meeting (May 29-June 2, 2016), 2016, 0, Ecs
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          Wei, Feng and Guo, Hao and Cheng, Shaoyin and Jiang, Fan
          Asia-Pacific Web Conference, 2016, 410--413, 0, Springer
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          Wu, Yuezhong and Weise, Thomas and Liu, Weichen
          Proceedings of the 18th Genetic and Evolutionary Computation Conference (GECCO’16), 2016, 0
          //www.it-weise.de/research/publications/WWL2016HDLSAWEOAECBPOTTSP/WWL2016HDLSAWEOAECBPOTTSP.pdf
        80. InProceedings: Structured dictionary for computations reduction in sparse recovery
          Xie, Ronggui and Yin, Huarui and Chen, Xiaohui and Wei, Guo
          Wireless Communications & Signal Processing (WCSP), 2016 8th International Conference on, 2016, 1--5, 0, IEEE
          //ieeexplore.ieee.org/abstract/document/7752642/
        81. Article: Crystal Engineering for Low Defect Density and High Efficiency Hybrid Chemical Vapor Deposition Grown Perovskite Solar Cells
          Ng, Annie and Ren, Zhiwei and Shen, Qian and Cheung, Sin-Hang and Gokkaya, Huseyin Cem and So, Shu Kong and djurisic, aleksandra B. and Wan, Yangyang and Wu, Xiaojun and Surya, Charles
          ACS Applied Materials & Interfaces, 2016, 0
          //pubs.acs.org/doi/abs/10.1021/acsami.6b07513
        82. Article: Persistent Luminescence Hole-Type Materials by Design: Transition-Metal-Doped Carbon Allotrope and Carbides
          Qu, Bingyan and Zhang, Bo and Wang, Lei and Zhou, Rulong and Zeng, Xiao Cheng and Li, Liang
          ACS applied materials & interfaces, 2016, 8, 5439--5444, 8
          //pubs.acs.org/doi/abs/10.1021/acsami.5b11609
        83. Article: Rutile TiO2 (011)-2$ extbackslashtimes$ 1 Reconstructed Surfaces with Optical Absorption over the Visible Light Spectrum
          Zhou, Rulong and Li, Dongdong and Qu, Bingyan and Sun, Xiaorui and Zhang, Bo and Zeng, Xiao Cheng
          ACS Applied Materials & Interfaces, 2016, 8, 27403--27410, 40
          //pubs.acs.org/doi/abs/10.1021/acsami.6b10718
        84. Article: Activating Edge Sites on Pd Catalysts for Selective Hydrogenation of Acetylene via Selective Ga2O3 Decoration
          Ding, Liangbing and Yi, Hong and Zhang, Wenhua and You, Rui and Cao, Tian and Yang, Jinlong and Lu, Junling and Huang, Weixin
          ACS Catalysis, 2016, 0
          //pubs.acs.org/doi/abs/10.1021/acscatal.6b00702
        85. Article: Mechanism of Vanadium-Catalyzed Selective C- O and C- C Cleavage of Lignin Model Compound
          Jiang, Yuan-Ye and Yan, Long and Yu, Hai-Zhu and Zhang, Qi and Fu, Yao
          ACS Catalysis, 2016, 0
          //pubs.acs.org/doi/abs/10.1021/acscatal.6b00239
        86. Article: Tuning electronic structures of non-precious ternary alloys encapsulated in graphene layers for optimizing overall water splitting activity
          Yang, Yang and Lin, Zhiyu and Gao, Shiqi and Su, Jianwei and Lun, Zheng-yan and Xia, Guoliang and Chen, Jitang and Zhang, Ruirui and Chen, Qianwang
          ACS Catalysis, 2016, 0
          //pubs.acs.org/doi/abs/10.1021/acscatal.6b02573
        87. Article: A first-principles study on the negative thermal expansion material: Mn3 (A0. 5B0. 5) N (A= Cu, Zn, Ag, or Cd; B= Si, Ge, or Sn)
          Qu, Bingyan and He, Haiyan and Pan, Bicai
          AIP Advances, 2016, 6, 075122, 7
          //scitation.aip.org/content/aip/journal/adva/6/7/10.1063/1.4960428
        88. Article: An experimental investigation on blockage effect of metro train on the smoke back-layering in subway tunnel fires
          Zhang, Shaogang and Cheng, Xudong and Yao, Yongzheng and Zhu, Kai and Li, Kaiyuan and Lu, Song and Zhang, Ruifang and Zhang, Heping
          Applied Thermal Engineering, 2016, 99, 214--223, 0, Elsevier
        89. Article: Anderson Localization from Berry-Curvature Interchange in Quantum Anomalous Hall System
          Qiao, Zhenhua and Wang, Ke and Zhang, Lei and Han, Yulei and Deng, Xinzhou and Jiang, Hua and Yang, Shengyuan A. and Wang, Jian and Niu, Qian
          arXiv preprint arXiv:1601.07367, 2016, 0
          //arxiv.org/abs/1601.07367
        90. Article: A many-body GW+ BSE investigation of electronic and optical properties of C2N
          Sun, Jiuyu and Zhang, Ruiqi and Li, Xingxing and Yang, Jinlong
          arXiv preprint arXiv:1602.03987, 2016, 0
          //arxiv.org/abs/1602.03987
        91. Article: Non-reciprocal Radio Frequency Transduction in a Parametric Mechanical Artificial Lattice
          Huang, Pu and Zhang, Liang and Zhou, Jingwei and Tian, Tian and Yin, Peiran and Duan, Changkui and Du, Jiangfeng
          arXiv preprint arXiv:1602.06507, 2016, 0
        92. Article: Alignments of dark matter halos with large-scale tidal fields: mass and redshift dependence
          Chen, Sijie and Wang, Huiyuan and Mo, H. J. and Shi, Jingjing
          arXiv preprint arXiv:1603.04152, 2016, 0
          //arxiv.org/abs/1603.04152
        93. Article: Water on Silicene: Hydrogen Bond Autocatalysis Induced Physisorption-Chemisorption-Dissociation Transition
          Hu, Wei and Li, Zhenyu and Yang, Jinlong
          arXiv preprint arXiv:1603.04372, 2016, 0
          //arxiv.org/abs/1603.04372
        94. Article: Density affects the nature of the hexatic-liquid transition in two-dimensional melting of core-softened systems
          Zu, Mengjie and Liu, Jun and Tong, Hua and Xu, Ning
          arXiv preprint arXiv:1605.00747, 2016, 0
          //arxiv.org/abs/1605.00747
        95. Article: Two-Dimensional Boron Oxides with Dirac Loop and Strongly anisotropic Carrier Mobility
          Zhang, Ruiqi and Yang, Jinlong
          arXiv preprint arXiv:1607.08290, 2016, 0
          //arxiv.org/abs/1607.08290
        96. Article: Probabilistic Feature Selection and Classification Vector Machine
          Li, Chang and Chen, Huanhuan and Yao, Xin
          arXiv preprint arXiv:1609.05486, 2016, 0
          //arxiv.org/abs/1609.05486
        97. Article: Structures and magnetism of mono-palladium and mono-platinum doped Au 25 (PET) 18 nanoclusters
          Tian, Shubo and Liao, Lingwen and Yuan, Jinyun and Yao, Chuanhao and Chen, Jishi and Yang, Jinlong and Wu, Zhikun
          Chemical Communications, 2016, 52, 9873--9876, 64
          //pubs.rsc.org/-/content/articlehtml/2016/cc/c6cc02698b
        98. Article: Computational Study of Formic Acid Dehydrogenation Catalyzed by AlIII–Bis (imino) pyridine
          Lu, Qian-Qian and Yu, Hai-Zhu and Fu, Yao
          Chemistry-A European Journal, 2016, 22, 4584--4591, 13
          //onlinelibrary.wiley.com/doi/10.1002/chem.201504573/full
        99. Article: The g-C3N4/C2N Nanocomposite: A g-C3N4-Based Water-Splitting Photocatalyst with Enhanced Energy Efficiency
          Wang, Huimin and Li, Xingxing and Yang, Jinlong
          ChemPhysChem, 2016, 0
          //onlinelibrary.wiley.com/doi/10.1002/cphc.201600209/full
        100. Article: Solvent effect on hydrogen bonded Tyr? Asp? Arg triads: Enzymatic catalyzed model system
          Yan, Shihai and Yao, Lishan and Kang, Baotao and Lee, Jin Yong
          Computational Biology and Chemistry, 2016, 65, 140--147, 0
          //www.sciencedirect.com/science/article/pii/S1476927116303450
        101. Article: First-principles study of two-dimensional van der Waals heterojunctions
          Hu, Wei and Yang, Jinlong
          Computational Materials Science, 2016, 112, 518--526, 0
          //www.sciencedirect.com/science/article/pii/S0927025615004000
        102. Article: Adaptive Multi-GPU Exchange Monte Carlo for the 3D Random Field Ising Model
          Navarro, Cristóbal A. and Huang, Wei and Deng, Youjin
          Computer Physics Communications, 2016, 205, 48--60, 0
          //www.sciencedirect.com/science/article/pii/S0010465516300960
        103. Article: First-principles calculations of equilibrium fractionation of O and Si isotopes in quartz, albite, anorthite, and zircon
          Qin, Tian and Wu, Fei and Wu, Zhongqing and Huang, Fang
          Contributions to Mineralogy and Petrology, 2016, 171, 91, 11
          //link.springer.com/article/10.1007/s00410-016-1303-3
        104. Article: Building Efficient Resource Management Systems in the Cloud: Opportunities and Challenges
          Xu, Lin and Li, Jing
          International Journal of Grid and Distributed Computing, 2016, 9, 157--172, 3
          //www.sersc.org/journals/IJGDC/vol9_no3/18.pdf
        105. Article: Metal-free Si-doped graphene: A new and enhanced anode material for Li ion battery
          Kong, Xiangkai
          Journal of Alloys and Compounds, 2016, 687, 534--540, 0
          //www.sciencedirect.com/science/article/pii/S0925838816318734
        106. Article: Stabilization of BeZnO alloy by S incorporation: A density functional theory investigation
          Chen, Mingming and Yong, Dingyu and Wu, Chunxia and Shen, Zhen and Chen, Anqi and Zhu, Yuan and Pan, Bicai and Tang, Zikang
          Journal of Alloys and Compounds, 2016, 658, 636--641, 0
          //www.sciencedirect.com/science/article/pii/S0925838815315474
        107. Article: Efficient transport of droplet sandwiched between saw-tooth plates
          Wang, Liya and Wu, Hengan and Wang, Fengchao
          Journal of colloid and interface science, 2016, 462, 280--287, 0, Elsevier
        108. Article: Thermodynamic and elastic properties of pyrope at high pressure and high temperature by first-principles calculations
          Hu, Yi and Wu, Zhongqing and Dera, Przemyslaw K. and Bina, Craig R.
          Journal of Geophysical Research: Solid Earth, 2016, 121, 6462--6476, 9
          //onlinelibrary.wiley.com/doi/10.1002/2016JB013026/full
        109. Article: Global versus local search: the impact of population sizes on evolutionary algorithm performance
          Weise, Thomas and Wu, Yuezhong and Chiong, Raymond and Tang, Ke and L?ssig, J?rg
          Journal of Global Optimization, 2016, 1--24, 0
          //link.springer.com/article/10.1007/s10898-016-0417-5
        110. Article: Vacuum ultraviolet photoionization mass spectrometric study of cyclohexene
          Chen, Jun and Cao, Maoqi and Wei, Bin and Ding, Mengmeng and Shan, Xiaobin and Liu, Fuyi and Sheng, Liusi
          Journal of Mass Spectrometry, 2016, 51, 169--181, 2
          //onlinelibrary.wiley.com/doi/10.1002/jms.3743/full
        111. Article: Structural features and thermal properties of W/Cu compounds using tight-binding potential calculations
          Ding, Wenyi and He, Haiyan and Pan, Bicai
          Journal of Materials Science, 2016, 51, 5948--5961, 12
          //link.springer.com/article/10.1007/s10853-016-9896-5
        112. Article: Synthesis and photophysical properties of meso-aryloxy linked BODIPY monomers, dimers, and trimer
          Yu, Changjiang and Wu, Qinghua and Tian, Zhonghua and Li, Tingting and Hao, Erhong and Jiao, Lijuan
          Journal of Porphyrins and Phthalocyanines, 2016, 1--15, 0
          //www.worldscientific.com/doi/abs/10.1142/S1088424616500309
        113. Article: Visible light excitable 3-formylBODIPYs for selective fluorescent and colorimetric sensing of cysteine
          Wu, Qinghua and Wu, Yangchun and Zhang, Min and Yu, Changjiang and Hao, Erhong and Jiao, Lijuan
          Journal of Porphyrins and Phthalocyanines, 2016, 1--12, 0
          //www.worldscientific.com/doi/abs/10.1142/S1088424616500267
        114. Article: Large eddy simulation of turbulent premixed combustion using tabulated detailed chemistry and presumed probability density function
          Zhang, Hongda and Han, Chao and Ye, Taohong and Ren, Zhuyin
          Journal of Turbulence, 2016, 17, 327--355, 3
          //www.tandfonline.com/doi/abs/10.1080/14685248.2015.1096364
        115. Article: Effect of a single nanoparticle on the contact line motion
          Li, Yingqi and Wu, Heng-An and Wang, Feng-Chao
          Langmuir, 2016, 0
          //pubs.acs.org/doi/abs/10.1021/acs.langmuir.6b03595
        116. Article: An observational proxy of halo assembly time and its correlation with galaxy properties
          Lim, SH and Mo, HJ and Wang, Huiyuan and Yang, Xiaohu
          Monthly Notices of the Royal Astronomical Society, 2016, 455, 499--510, 1, Oxford University Press
        117. Article: Coherent transport through spin-crossover magnet Fe 2 complexes
          Huang, Jing and Xie, Rong and Wang, Weiyi and Li, Qunxiang and Yang, Jinlong
          Nanoscale, 2016, 8, 609--616, 1, Royal Society of Chemistry
        118. Article: Highly selective colorimetric and fluorescent BODIPY dyes for sensing of cysteine and/or homocysteine
          Wu, Qinghua and Zhou, Jinyuan and Wu, Yangchun and Yu, Changjiang and Hao, Erhong and Jiao, Lijuan
          New Journal of Chemistry, 2016, 40, 1387--1395, 2
          //pubs.rsc.org/is/content/articlehtml/2016/nj/c5nj02346g
        119. Article: Transmission spectra and valley processing of graphene and carbon nanotube superlattices with inter-valley coupling
          Xu, Fuming and Yu, Zhizhou and Ren, Yafei and Wang, Bin and Wei, Yadong and Qiao, Zhenhua
          New Journal of Physics, 2016, 18, 113011, 11
          //iopscience.iop.org/article/10.1088/1367-2630/18/11/113011/meta
        120. Article: Environment-modulated Kondo phenomena in FePc/Au (111) adsorption systems
          Wang, Yu and Zheng, Xiao and Yang, Jinlong
          Physical Review B, 2016, 93, 125114, 12, APS
        121. Article: Thermal rectification and negative differential thermal conductance in harmonic chains with nonlinear system-bath coupling
          Ming, Yi and Li, Hui-Min and Ding, Ze-Jun and others
          Physical Review E, 2016, 93, 032127, 3
          //journals.aps.org/pre/abstract/10.1103/PhysRevE.93.032127
        122. Article: Carbon Tetragons as Definitive Spin Switches in Narrow Zigzag Graphene Nanoribbons
          Cui, Ping and Zhang, Qiang and Zhu, Hongbin and Li, Xiaoxia and Wang, Weiyi and Li, Qunxiang and Zeng, Changgan and Zhang, Zhenyu
          Physical review letters, 2016, 116, 026802, 2, APS
        123. Article: Advanced Algorithms for Local Routing Strategy on Complex Networks
          Lin, Benchuan and Chen, Bokui and Gao, Yachun and Chi, K. Tse and Dong, Chuanfei and Miao, Lixin and Wang, Binghong
          PloS one, 2016, 11, e0156756, 7
          //journals.plos.org/plosone/article?id=10.1371/journal.pone.0156756
        124. Article: An optimization method for the distance between exits of buildings considering uncertainties based on arbitrary polynomial chaos expansion
          Xie, Qimiao and Wang, Jinhui and Lu, Shouxiang and Hensen, Jan LM
          Reliability Engineering & System Safety, 2016, 0
          //www.sciencedirect.com/science/article/pii/S0951832016300990
        125. Article: Ferroelectricity and magnetism in metal-formate frameworks of [NH 4][M (HCOO) 3](M= Sc to Zn): a first-principles study
          Sun, Yingjie and Zhuo, Zhiwen and Wu, Xiaojun
          RSC Advances, 2016, 6, 113234--113239, 114
          //pubs.rsc.org/-/content/articlehtml/2016/ra/c6ra24182d
        126. Article: First-Principle Investigations of Vanadium Disulfide for Lithium and Sodium Ion Battery Applications
          Wang, Wenhui and Sun, Zhongti and Zhang, Wenshuai and Fan, Quanping and Sun, Qi and Cui, Xudong and Xiang, Bin
          RSC Advances, 2016, 0
          //pubs.rsc.org/en/content/articlehtml/2016/ra/c6ra07586j
        127. Article: Hydration of oxalic acid–ammonia complex: atmospheric implication and Rayleigh-scattering properties
          Peng, Xiu-Qiu and Huang, Teng and Miao, Shou-Kui and Chen, Jiao and Wen, Hui and Feng, Ya-Juan and Hong, Yu and Wang, Chun-Yu and Huang, Wei
          RSC Advances, 2016, 6, 46582--46593, 52
          //pubs.rsc.org/en/content/articlehtml/2016/ra/c6ra03164a
        128. Article: Mechanism for the enhanced reactivity of 4-mercaptoprolyl thioesters in native chemical ligation
          Shah, Muhammad Ishaq Ali and Xu, Zhe-Yuan and Liu, Lei and Jiang, Yuan-Ye and Shi, Jing
          RSC Advances, 2016, 6, 68312--68321, 72
          //pubs.rsc.org/-/content/articlehtml/2016/ra/c6ra13793h
        129. Article: Mechanistic study of pressure and temperature dependent structural changes in reactive formation of silicon carbonate
          Qu, Bingyan and Li, Dongdong and Wang, Lei and Wu, Jili and Zhou, Rulong and Zhang, Bo and Zeng, Xiao Cheng
          RSC Advances, 2016, 6, 26650--26657, 32
          //pubs.rsc.org/en/content/articlehtml/2016/ra/c5ra21981g
        130. Article: Synthesis, structure and photophysical properties of near-infrared 3, 5-diarylbenzoBODIPY fluorophores
          Wang, Jun and Wu, Qinghua and Xu, Yajun and Yu, Changjiang and Wei, Yun and Mu, Xiaolong and Hao, Erhong and Jiao, Lijuan
          RSC Advances, 2016, 6, 52180--52188, 57
          //pubs.rsc.org/en/content/articlehtml/2016/ra/c6ra04412c
        131. Article: Suppression of Structural Phase Transition in VO2 by Epitaxial Strain in Vicinity of Metal-insulator Transition
          Yang, Mengmeng and Yang, Yuanjun and Hong, Bin and Wang, Liangxin and Hu, Kai and Dong, Yongqi and Xu, Han and Huang, Haoliang and Zhao, Jiangtao and Chen, Haiping and others
          Scientific reports, 2016, 6, 0
          //www.ncbi.nlm.nih.gov/pmc/articles/PMC4792152/
        132. Article: Unraveling low-resolution structural data of large biomolecules by constructing atomic models with experiment-targeted parallel cascade selection simulations
          Peng, Junhui and Zhang, Zhiyong
          Scientific Reports, 2016, 6, 0
          //www.ncbi.nlm.nih.gov/pmc/articles/PMC4932515/
        133. Article: Anisotropy induced Kondo splitting in a mechanically stretched molecular junction: A first-principles based study
          Wang, Xiaoli and Hou, Dong and Zheng, Xiao and Yan, YiJing
          The Journal of chemical physics, 2016, 144, 034101, 3
          //scitation.aip.org/content/aip/journal/jcp/144/3/10.1063/1.4939843
        134. Article: π-Hydrogen Bonding of Aromatics on Surface of Aerosols: Insights from Ab initio and Molecular Dynamics Simulation
          Feng, Ya-Juan and Huang, Teng and Wang, Chao and Liu, Yi-Rong and Jiang, Shuai and Miao, Shou-Kui and Chen, Jiao and Huang, Wei
          The Journal of Physical Chemistry B, 2016, 0
          //pubs.acs.org/doi/abs/10.1021/acs.jpcb.6b01180
        135. Article: Density Functional Theory Investigation on Thiophene Hydrodesulfurization Mechanism Catalyzed by ReS2 (001) Surface
          Huang, Yucheng and Liu, Hai and Chen, Xi and Zhou, Danmei and Wang, Chan and Du, Jinyan and Zhou, Tao and Wang, Sufan
          The Journal of Physical Chemistry C, 2016, 0
          //pubs.acs.org/doi/abs/10.1021/acs.jpcc.6b02769
        136. Article: Origin of Steric Effects in Methane Dissociative Chemisorption
          Jiang, Bin and Guo, Hua
          The Journal of Physical Chemistry C, 2016, 120, 8220--8226, 15
          //pubs.acs.org/doi/abs/10.1021/acs.jpcc.6b01951
        137. Article: Stabilities, Electronic and Optical Properties of SnSe2 (1–x) S2 x Alloys: A First-Principles Study
          Huang, Yucheng and Chen, Xi and Zhou, Danmei and Liu, Hai and Wang, Chan and Du, Jinyan and Ning, Lixin and Wang, Sufan
          The Journal of Physical Chemistry C, 2016, 120, 5839--5847, 10
          //pubs.acs.org/doi/abs/10.1021/acs.jpcc.6b00794
        138. Article: Removal of halogenated emerging contaminants from water by nitrogen-doped graphene decorated with palladium nanoparticles: Experimental investigation and theoretical analysis
          Li, Lei and Gong, Li and Wang, Yi-Xuan and Liu, Qi and Zhang, Jie and Mu, Yang and Yu, Han-Qing
          Water research, 2016, 98, 235--241, 0
          //www.sciencedirect.com/science/article/pii/S0043135416302305

        2015年:133篇

        1. Article: Comparative Study on Electronic Structures of Sc and Ti Contacts with Monolayer and Multilayer MoS2
          Li, Zhong-Jun and Li, Xingxing and Yang, Jinlong
          ACS Applied Materials & Interfaces, 2015, 0
          //pubs.acs.org/doi/abs/10.1021/acsami.5b02782
        2. Article: Experimental and Theoretical Studies on the Effects of Magnetic Fields on the Arrangement of Surface Spins and the Catalytic Activity of Pd Nanoparticles
          Li, Ran and Yang, Yang and Li, Ren and Chen, Qianwang
          ACS Applied Materials & Interfaces, 2015, 7, 6019--6024, 11
          //pubs.acs.org/doi/abs/10.1021/am509218a
        3. Article: Roles of Crystal Surface in Pt-Loaded Titania for Photocatalytic Conversion of Organic Pollutants: A First-Principle Theoretical Calculation
          Chen, Jiejie and Wang, Wei-Kang and Li, Wen-Wei and Pei, Dan-Ni and Yu, Han-Qing
          ACS Applied Materials & Interfaces, 2015, 0
          //pubs.acs.org/doi/abs/10.1021/acsami.5b00079
        4. Article: Synthesis of Pt-Loaded Self-Interspersed Anatase TiO2 with a Large Fraction of (001) Facets for Efficient Photocatalytic Nitrobenzene Degradation
          Wang, Wei-Kang and Chen, Jiejie and Li, Wen-Wei and Pei, Dan-Ni and Zhang, Xing and Yu, Han-Qing
          ACS Applied Materials & Interfaces, 2015, 0
          //pubs.acs.org/doi/abs/10.1021/acsami.5b06161
        5. Article: Compression Limit of Two-Dimensional Water Constrained in Graphene Nanocapillaries
          Zhu, YinBo and Wang, FengChao and Bai, Jaeil and Zeng, Xiao Cheng and Wu, HengAn
          ACS nano, 2015, 9, 12197--12204, 12, ACS Publications
        6. Article: Stable Metallic 1T-WS2 Nanoribbons Intercalated with Ammonia Ions: The Correlation between Structure and Electrical/Optical Properties
          Liu, Qin and Li, Xiuling and Xiao, Zhangru and Zhou, Yu and Chen, Haipin and Khalil, Adnan and Xiang, Ting and Xu, Junqing and Chu, Wangsheng and Wu, Xiaojun and others
          Advanced Materials, 2015, 27, 4837--4844, 33, Wiley Online Library
        7. Article: Atomic-Layer-Confined Doping for Atomic-Level Insights into Visible-Light Water Splitting
          Lei, Fengcai and Zhang, Lei and Sun, Yongfu and Liang, Liang and Liu, Katong and Xu, Jiaqi and Zhang, Qun and Pan, Bicai and Luo, Yi and Xie, Yi
          Angewandte Chemie International Edition, 2015, 54, 9266--9270, 32
          //onlinelibrary.wiley.com/doi/10.1002/anie.201503410/full
        8. Article: Aeration and mass transfer optimization in a rectangular airlift loop photobioreactor for the production of microalgae
          Guo, Xin and Yao, Lishan and Huang, Qingshan
          Bioresource technology, 2015, 190, 189--195, 0
          //www.sciencedirect.com/science/article/pii/S096085241500601X
        9. Article: Mechanistic study of the persistent luminescence of CaAl2O4: Eu, Nd
          Qu, Bingyan and Zhang, Bo and Wang, Lei and Zhou, Rulong and Zeng, Xiao Cheng
          Chemistry of Materials, 2015, 27, 2195--2202, 6
          //pubs.acs.org/doi/abs/10.1021/acs.chemmater.5b00288
        10. Article: A high performance cathode for proton conducting solid oxide fuel cells
          Wang, Zhiquan and Yang, Wenqiang and Shafi, Shahid P. and Bi, Lei and Wang, Zhenbin and Peng, Ranran and Xia, Changrong and Liu, Wei and Lu, Yalin
          Journal of Materials Chemistry A, 2015, 3, 8405--8412, 16
          //pubs.rsc.org/en/content/articlehtml/2015/ta/c5ta00391a
        11. Article: Experimental and theoretical investigations of nitro-group doped porous carbon as a high performance lithium-ion battery anode
          Yang, Yang and Zheng, Fangcai and Xia, Guoliang and Lun, Zhengyan and Chen, Qianwang
          Journal of Materials Chemistry A, 2015, 3, 18657--18666, 36
          //pubs.rsc.org/en/content/articlehtml/2015/ta/c5ta05676d
        12. Article: Formation of bilayer clathrate hydrates
          Zhao, Wen-Hui and Bai, Jaeil and Wang, Lu and Yuan, Lan-Feng and Yang, Jinlong and Francisco, Joseph S and Zeng, Xiao Cheng
          Journal of Materials Chemistry A, 2015, 3, 5547--5555, 10, Royal Society of Chemistry
        13. Article: MoP is a novel, noble-metal-free cocatalyst for enhanced photocatalytic hydrogen production from water under visible light
          Yue, Qiudi and Wan, Yangyang and Sun, Zijun and Wu, Xiaojun and Yuan, Yupeng and Du, Pingwu
          Journal of Materials Chemistry A, 2015, 3, 16941--16947, 33
          //pubs.rsc.org/en/content/articlehtml/2015/ta/c5ta03949e
        14. Article: Synthesis of FeP 2/C nanohybrids and their performance for hydrogen evolution reaction
          Jiang, Jun and Wang, Chunde and Zhang, Jiajia and Wang, Wenliang and Zhou, Xiaoli and Pan, Bicai and Tang, Kaibin and Zuo, Jian and Yang, Qing
          Journal of Materials Chemistry A, 2015, 3, 499--503, 2
          //pubs.rsc.org/en/content/articlehtml/2014/ta/c4ta04758c
        15. Article: Tunable Schottky contacts in hybrid graphene–phosphorene nanocomposites
          Hu, Wei and Wang, Tian and Yang, Jinlong
          Journal of Materials Chemistry C, 2015, 3, 4756--4761, 18
          //pubs.rsc.org/en/content/articlehtml/2015/tc/c5tc00759c
        16. Article: Electric-Field-Driven Dual Vacancies Evolution in Ultrathin Nanosheets Realizing Reversible Semiconductor to Half-Metal Transition
          Lyu, Mengjie and Liu, Youwen and Zhi, Yuduo and Xiao, Chong and Gu, Bingchuan and Hua, Xuemin and Fan, Shaojuan and Lin, Yue and Bai, Wei and Tong, Wei and others
          Journal of the American Chemical Society, 2015, 137, 15043--15048, 47
          //pubs.acs.org/doi/abs/10.1021/jacs.5b10212
        17. Article: An oxygen reduction catalyst derived from a robust Pd-reducing bacterium
          Xiong, Lu and Chen, Jie-Jie and Huang, Yu-Xi and Li, Wen-Wei and Xie, Jia-Fang and Yu, Han-Qing
          Nano Energy, 2015, 12, 33--42, 0, Elsevier
        18. Article: Effects of stacking order, layer number and external electric field on electronic structures of few-layer C 2 N-h 2D
          Zhang, Ruiqi and Li, Bin and Yang, Jinlong
          Nanoscale, 2015, 7, 14062--14070, 33
          //pubs.rsc.org/en/content/articlehtml/2015/nr/c5nr03895b
        19. Article: Nano-scale displacement sensing based on van der Waals interactions
          Hu, Lin and Zhao, Jin and Yang, Jinlong
          Nanoscale, 2015, 7, 8962--8967, 19
          //pubs.rsc.org/en/content/articlehtml/2015/nr/c5nr00023h
        20. Article: Understanding the origin of phase segregation of nano-crystalline in a Be x Zn 1- x O random alloy: a novel phase of Be 1/3 Zn 2/3 O
          Yong, Dingyu and He, Haiyan and Su, Longxing and Zhu, Yuan and Tang, Zikang and Zeng, Xiao Cheng and Pan, Bicai
          Nanoscale, 2015, 7, 9852--9858, 21
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        21. Article: Fe/Co doped molybdenum diselenide: a promising two-dimensional intermediate-band photovoltaic material
          Zhang, Jiajia and He, Haiyan and Pan, Bicai
          Nanotechnology, 2015, 26, 195401, 19, IOP Publishing
        22. Article: Square ice in graphene nanocapillaries
          Algara-Siller, G and Lehtinen, O and Wang, FC and Nair, RR and Kaiser, U and Wu, HA and Geim, AK and Grigorieva, IV
          Nature, 2015, 519, 443--445, 7544, Nature Publishing Group
        23. Article: Structural isomerism in gold nanoparticles revealed by X-ray crystallography
          Tian, Shubo and Li, Yi-Zhi and Li, Man-Bo and Yuan, Jinyun and Yang, Jinlong and Wu, Zhikun and Jin, Rongchao
          Nature communications, 2015, 6, 0, Nature Publishing Group
        24. Article: The positive piezoconductive effect in graphene
          Xu, Kang and Wang, Ke and Zhao, Wei and Bao, Wenzhong and Liu, Erfu and Ren, Yafei and Wang, Miao and Fu, Yajun and Zeng, Junwen and Li, Zhaoguo and others
          Nature Communications, 2015, 6, 0
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        25. Article: Distinguishing adjacent molecules on a surface using plasmon-enhanced Raman scattering
          Jiang, Song and Zhang, Yao and Zhang, Rui and Hu, Chunrui and Liao, Menghan and Luo, Yi and Yang, Jinlong and Dong, Zhenchao and Hou, JG
          Nature Nanotechnology, 2015, 0, Nature Publishing Group
        26. Article: Carbon Dimers as the Dominant Feeding Species in Epitaxial Growth and Morphological Phase Transition of Graphene on Different Cu Substrates
          Wu, Ping and Zhang, Yue and Cui, Ping and Li, Zhenyu and Yang, Jinlong and Zhang, Zhenyu
          Physical Review Letters, 2015, 114, 216102, 21
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        27. Article: Gram-Scale Aqueous Synthesis of Stable Few-Layered 1T-MoS2: Applications for Visible-Light-Driven Photocatalytic Hydrogen Evolution
          Liu, Qin and Li, Xiuling and He, Qun and Khalil, Adnan and Liu, Daobin and Xiang, Ting and Wu, Xiaojun and Song, Li
          Small, 2015, 0
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        28. Article: Mechanism of Aldehyde-Selective Wacker-Type Oxidation of Unbiased Alkenes with a Nitrite Co-Catalyst
          Jiang, Yuan-Ye and Zhang, Qi and Yu, Hai-Zhu and Fu, Yao
          ACS Catalysis, 2015, 5, 1414--1423, 3
          //pubs.acs.org/doi/abs/10.1021/cs5018776
        29. Article: Mechanism of the Visible Light-Mediated Gold-Catalyzed Oxyarylation Reaction of Alkenes
          Zhang, Qi and Zhang, Zhen-Qi and Fu, Yao and Yu, Haizhu
          ACS Catalysis, 2015, 0
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        30. Article: Mechanistic Study on Ligand-Controlled Rh (I)-Catalyzed Coupling Reaction of Alkene-Benzocyclobutenone
          Lu, Qianqian and Wang, Bing and Yu, Haizhu and Fu, Yao
          ACS Catalysis, 2015, 5, 4881--4889, 8
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        31. Article: Surface excitation parameter for rough surfaces
          Da, Bo and Salma, Khanam and Ji, Hui and Mao, Shifeng and Zhang, Guanghui and Wang, Xiaoping and Ding, Zejun
          Applied Surface Science, 2015, 356, 142--149, 0
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        32. Article: Decolorization by Caldicellulosiruptor saccharolyticus with dissolved hydrogen under extreme thermophilic conditions
          Shen, Nan and Huo, Ying-Chao and Chen, Jie-Jie and Zhang, Fang and Zheng, Hang and Zeng, Raymond J
          Chemical Engineering Journal, 2015, 262, 847--853, 0, Elsevier
        33. Article: Modeling transport phenomena and reactions in a pilot slurry airlift loop reactor for direct coal liquefaction
          Huang, Qingshan and Zhang, Weipeng and Yang, Chao
          Chemical Engineering Science, 2015, 0
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        34. Article: A flexible transition state searching method for atmospheric reaction systems
          Lin, Xiao-Xiao and Liu, Yi-Rong and Huang, Teng and Chen, Jiao and Jiang, Shuai and Huang, Wei
          Chemical Physics, 2015, 450, 21--31, 0
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        35. Article: Probing the structures and electronic properties of dual-phosphorus-doped gold cluster anions (, n= 1–8): A density functional theory investigation
          Xu, Kang-Ming and Huang, Teng and Liu, Yi-Rong and Jiang, Shuai and Zhang, Yang and Lv, Yu-Zhou and Gai, Yan-Bo and Huang, Wei
          Chemical Physics, 2015, 456, 13--21, 0
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        36. Article: Tandem Regioselective Substitution and Palladium-Catalyzed Ring Fusion Reaction for Core-Expanded Boron Dipyrromethenes with Red-Shifted Absorption and Intense Fluorescence
          Zhou, Xin and Wu, Qinghua and Feng, Yuanmei and Yu, Yang and Yu, Changjiang and Hao, Erhong and Wei, Yun and Mu, Xiaolong and Jiao, Lijuan
          Chemistry--An Asian Journal, 2015, 10, 1979--1986, 9, Wiley Online Library
        37. Article: Mechanism of Nickel (II)-Catalyzed Oxidative C (sp2)- H/C (sp3)- H Coupling of Benzamides and Toluene Derivatives
          Xu, Zheng-Yang and Jiang, Yuan-Ye and Yu, Hai-Zhu and Fu, Yao
          Chemistry-An Asian Journal, 2015, 0
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        38. Article: Design of Bodipy based organic dyes for high-efficient dye-sensitized solar cells employing double electron acceptors
          Mao, Mao and Zhang, Xiaolin and Cao, Le and Tong, Yao and Wu, Guahua
          Dyes and Pigments, 2015, 117, 28--36, 0
          //www.sciencedirect.com/science/article/pii/S0143720815000376
        39. Article: Role of Oxygen Vacancy on the Photoluminescence of BaMgSiO4: Eu Phosphors: Experimental and Theoretical Analysis
          Ji, Weiwei and Lee, Ming-Hsien and Hao, Luyuan and Xu, Xin and Agathopoulos, Simeon and Zheng, Dewen and Fang, Chaohe
          Inorganic Chemistry, 2015, 54, 1556--1562, 4
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        40. Article: Extinguishment of hydrogen diffusion flames by ultrafine water mist in a cup burner apparatus–A numerical study
          Feng, Ming-Hui and Li, Quan-Wei and Qin, Jun
          International Journal of Hydrogen Energy, 2015, 0
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        41. Article: Development of a tight-binding model for Cu and its application to a Cu-heat-sink under irradiation
          Ding, Wenyi and He, Haiyan and Pan, Bicai
          Journal of Materials Science, 2015, 50, 5684--5693, 17, Springer
        42. Article: Conformation-Restricted Partially and Fully Fused BODIPY Dimers as Highly Stable Near-Infrared Fluorescent Dyes
          Wang, Jun and Wu, Qinghua and Wang, Shaowu and Yu, Changjiang and Li, Jin and Hao, Erhong and Wei, Yun and Mu, Xiaolong and Jiao, Lijuan
          Organic letters, 2015, 17, 5360--5363, 21, ACS Publications
        43. Article: A computational view of the change in the geometric and electronic properties of perovskites caused by the partial substitution of Pb by Sn
          Ju, Ming-Gang and Sun, Guangxu and Zhao, Yi and Liang, WanZhen
          Physical Chemistry Chemical Physics, 2015, 17, 17679--17687, 27
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        44. Article: Anomalous twisting strength of tilt grain boundaries in armchair graphene nanoribbons
          Liu, XiaoYi and Wang, FengChao and Wu, HengAn
          Physical Chemistry Chemical Physics, 2015, 17, 31911--31916, 47, Royal Society of Chemistry
        45. Article: Gas-phase dynamics in graphene growth by chemical vapour deposition
          Li, Gan and Huang, Sheng-Hong and Li, Zhenyu
          Physical Chemistry Chemical Physics, 2015, 17, 22832--22836, 35
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        46. Article: Interaction of gas phase oxalic acid with ammonia and its atmospheric implications
          Peng, Xiu-Qiu and Liu, Yi-Rong and Huang, Teng and Jiang, Shuai and Huang, Wei
          Physical Chemistry Chemical Physics, 2015, 17, 9552--9563, 14
          //pubs.rsc.org/en/content/articlehtml/2015/cp/c5cp00027k
        47. Article: Quantum-trajectory Monte Carlo method for study of electron–crystal interaction in STEM
          Ruan, Z. and Zeng, R. G. and Ming, Y. and Zhang, M. and Da, B. and Mao, S. F. and Ding, Z. J.
          Physical Chemistry Chemical Physics, 2015, 17, 17628--17637, 27
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        48. Article: H-stabilized shallow acceptors in N-doped ZnO
          Yong, DY and He, HY and Tang, ZK and Wei, Su-Huai and Pan, BC
          Physical Review B, 2015, 92, 235207, 23, APS
        49. Article: Matrix product state approach to a frustrated spin chain with long-range interactions
          Li, Zhi-Hua and Wang, An-Min
          Physical Review B, 2015, Jun, 91, 23, 235110, 0, 7, American Physical Society
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        50. Article: Proposal of a general scheme to obtain room-temperature spin polarization in asymmetric antiferromagnetic semiconductors
          Li, Xingxing and Wu, Xiaojun and Li, Zhenyu and Yang, Jinlong
          Physical Review B, 2015, 92, 125202, 12, APS
        51. Article: Role of geometry and topological defects in the one-dimensional zero-line modes of graphene
          Bi, Xintao and Jung, Jeil and Qiao, Zhenhua
          Physical Review B, 2015, 92, 235421, 23, APS
        52. Article: Single-valley engineering in graphene superlattices
          Ren, Yafei and Deng, Xinzhou and Qiao, Zhenhua and Li, Changsheng and Jung, Jeil and Zeng, Changgan and Zhang, Zhenyu and Niu, Qian
          Physical Review B, 2015, Jun, 91, 24, 245415, 0, 8, American Physical Society
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        53. Article: Performance analysis of Azimuth Tracking Fixed Mirror Solar Concentrator
          Li, Longlong and Li, Huairui and Xu, Qian and Huang, Weidong
          Renewable Energy, 2015, 75, 722--732, 0, Elsevier
        54. Article: High-Efficiency Cooper-Pair Splitter in Quantum Anomalous Hall Insulator Proximity-Coupled with Superconductor
          Zhang, Ying-Tao and Deng, Xinzhou and Sun, Qing-Feng and Qiao, Zhenhua
          Scientific reports, 2015, 5, 0, Nature Publishing Group
        55. Article: Molecular origin of contact line stick-slip motion during droplet evaporation
          Wang, FengChao and Wu, HengAn
          Scientific reports, 2015, 5, 0, Nature Publishing Group
        56. Article: Structural insights into HetR- PatS interaction involved in cyanobacterial pattern formation
          Hu, Hai-Xi and Jiang, Yong-Liang and Zhao, Meng-Xi and Cai, Kun and Liu, Sanling and Wen, Bin and Lv, Pei and Zhang, Yonghui and Peng, Junhui and Zhong, Hui and others
          Scientific reports, 2015, 5, 0, Nature Publishing Group
        57. Article: Three-Dimensional Assignment of the Structures of Atomic Clusters: an Example of Au8M (M= Si, Ge, Sn) Anion Clusters
          Liu, Yi-Rong and Huang, Teng and Gai, Yan-Bo and Zhang, Yang and Feng, Ya-Juan and Huang, Wei
          Scientific reports, 2015, 5, 0
          //www.ncbi.nlm.nih.gov/pmc/articles/PMC4668548/
        58. Article: Flow Patterns around Dark Matter Halos: The Link between Halo Dynamical Properties and Large-scale Tidal Field
          Jingjing Shi and Huiyuan Wang and H. J. Mo
          The Astrophysical Journal, 2015, 807, 37, 1
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        59. Article: Improving the efficiency of hierarchical equations of motion approach and application to coherent dynamics in Aharonov–Bohm interferometers
          Hou, Dong and Wang, Shikuan and Wang, Rulin and Ye, LvZhou and Xu, RuiXue and Zheng, Xiao and Yan, YiJing
          The Journal of chemical physics, 2015, 142, 104112, 10
          //scitation.aip.org/content/aip/journal/jcp/142/10/10.1063/1.4914514
        60. Article: A First-Principles Study on Electron Donor and Acceptor Molecules Adsorbed on Phosphorene
          Zhang, Ruiqi and Li, Bin and Yang, Jinlong
          The Journal of Physical Chemistry C, 2015, 119, 2871--2878, 5
          //pubs.acs.org/doi/abs/10.1021/jp5116564
        61. Article: CO2 Capture on h-BN Sheet with High Selectivity Controlled by External Electric Field
          Guo, Hongyan and Zhang, Wenhua and Lu, Ning and Zhuo, Zhiwen and Zeng, Xiao Cheng and Wu, Xiaojun and Yang, Jinlong
          The Journal of Physical Chemistry C, 2015, 119, 6912--6917, 12
          //pubs.acs.org/doi/abs/10.1021/acs.jpcc.5b00681
        62. Article: Defects in Phosphorene
          Wei Hu and Jinlong Yang
          The Journal of Physical Chemistry C, 2015, 119, 20474-20480, 35
        63. Article: Hydrogen Activation on the Promoted and Unpromoted ReS2 (001) Surfaces under the Sulfidation Conditions: A First-Principles Study
          Huang, Yucheng and Liu, Hai and Ling, Chongyi and Chen, Xi and Zhou, Danmei and Wang, Sufan
          The Journal of Physical Chemistry C, 2015, 119, 17092--17101, 30
          //pubs.acs.org/doi/abs/10.1021/acs.jpcc.5b02710
        64. Article: Tetrahedral Au17+: A Superatomic Molecule with a Au13 FCC Core
          Yan, Lijuan and Cheng, Longjiu and Yang, Jin-Long
          The Journal of Physical Chemistry C, 2015, 0, ACS Publications
        65. Article: A Density Functional Study of the Nonlinear Optical Properties of Edge-Functionalized Nonplanar Nanographenes
          Dai, Yafei and Li, Zhenyu and Yang, Jinlong
          ChemPhysChem, 2015, 16, 2783--2788, 13
          //onlinelibrary.wiley.com/doi/10.1002/cphc.201500400/full
        66. Article: First Principles Study on the Doping of SnSe2 Monolayer
          Huang, Yucheng and Zhou, Danmei and Chen, Xi and Liu, Hai and Wang, Chan and Wang, Sufan
          ChemPhysChem, 2015, 0
          //onlinelibrary.wiley.com/doi/10.1002/cphc.201501034/full
        67. Article: Accurate theoretical prediction on positron lifetime of bulk materials
          Zhang, Wenshuai and Gu, Bingchuan and Liu, Jiandang and Ye, Bangjiao
          Computational Materials Science, 2015, 105, 32--38, 0
          //www.sciencedirect.com/science/article/pii/S0927025615002578
        68. Article: Numerical investigation of four-lid-driven cavity flow bifurcation using the multiple-relaxation-time lattice Boltzmann method
          Zhuo, Congshan and Zhong, Chengwen and Guo, Xixiong and Cao, Jun
          Computers & Fluids, 2015, 110, 136--151, 0
          //www.sciencedirect.com/science/article/pii/S0045793014004484
        69. Article: Dynamic mode decomposition of forced spatially developed transitional jets
          Wan, Zhen-Hua and Zhou, Lin and Wang, Bo-Fu and Sun, De-Jun
          European Journal of Mechanics-B/Fluids, 2015, 51, 16--26, 0
          //www.sciencedirect.com/science/article/pii/S0997754614001897
        70. Article: Multi-scale complexity analysis of muscle coactivation during gait in children with cerebral palsy
          Tao, Wen and Zhang, Xu and Chen, Xiang and Wu, De and Zhou, Ping
          Frontiers in human neuroscience, 2015, 9, 0
          //www.ncbi.nlm.nih.gov/pmc/articles/PMC4510417/
        71. Article: Experimental and Subsequent Mechanism Research on the Steam Reforming of Ethanol Over a Ni/CeO2 Catalyst
          Wang, Shurong and Guo, Wenwen and Guo, Long and Li, Xinbao and Wang, Qi
          International Journal of Green Energy, 2015, 12, 694--701, 7, Taylor & Francis
        72. Article: Investigation on addition and abstraction channels in Cl reactions with 1-butene and isobutene
          Chu, Genbai and Chen, Jun and Shui, Min and Xin, Jianting and Liu, Fuyi and Sheng, Liusi and Xu, Tao and Cao, Leifeng and Gu, Yuqiu
          International Journal of Mass Spectrometry, 2015, 375, 1--8, 0, Elsevier
        73. Article: Insights into resistance mechanism of the macrolide biosensor protein MphR (A) binding to macrolide antibiotic erythromycin by molecular dynamics simulation
          Feng, Tingting and Zhang, Yanjun and Ding, Jing-Na and Fan, Song and Han, Ju-Guang
          Journal of Computer-Aided Molecular Design, 2015, 29, 1123--1136, 12
          //link.springer.com/article/10.1007/s10822-015-9881-0
        74. Article: Extinguishment of hydrogen laminar diffusion flames by water vapor in a cup burner apparatus
          Feng, Ming-Hui and Qin, Jun
          Journal of Loss Prevention in the Process Industries, 2015, 38, 260--267, 0
          //www.sciencedirect.com/science/article/pii/S0950423015300474
        75. Article: Calculation of Bohmian quantum trajectories for STEM
          Zhang, M. and Ming, Y. and Zeng, R. G. and Ding, Z. J.
          Journal of microscopy, 2015, 0
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        76. Article: Dynamic process of H-controlled oxygen concentration in LBE: A first-principles study
          Li, Dongdong and Zhang, Y. G. and He, H. Y. and Liu, C. S. and Pan, B. C.
          Journal of Nuclear Materials, 2015, 0
          //www.sciencedirect.com/science/article/pii/S0022311515302269
        77. Article: Crystal and EM Structures of Human Phosphoribosyl Pyrophosphate Synthase I (PRS1) Provide Novel Insights into the Disease-Associated Mutations
          Chen, Peng and Liu, Zheng and Wang, Xuejuan and Peng, Junhui and Sun, Qianqian and Li, Jianzhong and Wang, Mingxing and Niu, Liwen and Zhang, Zhiyong and Cai, Gang and others
          PloS one, 2015, 10, e0120304, 3, Public Library of Science
        78. Article: Determining structural ensembles of flexible multi-domain proteins using small-angle X-ray scattering and molecular dynamics simulations
          Zhang, Yonghui and Wen, Bin and Peng, Junhui and Zuo, Xiaobing and Gong, Qingguo and Zhang, Zhiyong
          Protein & cell, 2015, 6, 619, 8, Springer
        79. Article: Hydration of the Sulfuric Acid-Oxalic Acid Complex: Acid Dissociation and Its Atmospheric Implication
          Miao, Shou-Kui and Jiang, Shuai and Chen, Jiao and Ma, Yan and Zhu, Yu-Peng and Wen, Yang and Zhang, Miao-Miao and Huang, Wei
          RSC Advances, 2015, 0
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        80. Article: On the properties and atmospheric implication of amine-hydrated clusters
          Chen, Jiao and Jiang, Shuai and Miao, Shou-Kui and Peng, Xiu-Qiu and Ma, Yan and Wang, Chun-Yu and Zhang, Miao-Miao and Liu, Yi-Rong and Huang, Wei
          RSC Advances, 2015, 5, 91500--91515, 111
          //pubs.rsc.org/en/content/articlehtml/2015/ra/c5ra11462d
        81. Article: On the properties of Au 2 P 3 z (z=- 1, 0,+ 1): analysis of geometry, interaction, and electron density
          Xu, Kang-Ming and Jiang, Shuai and Zhu, Yu-Peng and Huang, Teng and Liu, Yi-Rong and Zhang, Yang and Lv, Yu-Zhou and Huang, Wei
          RSC Advances, 2015, 5, 26071--26080, 33
          //pubs.rsc.org/en/content/articlehtml/2015/ra/c5ra00131e
        82. Article: SnS 2 nanotubes: a promising candidate for the anode material for lithium ion batteries
          Huang, Yucheng and Ling, Chongyi and Chen, Xi and Zhou, Danmei and Wang, Sufan
          RSC Advances, 2015, 5, 32505--32510, 41
          //pubs.rsc.org/en/content/articlehtml/2015/ra/c5ra01211b
        83. Article: Properties and Atmospheric Implication of Methylamine–Sulfuric Acid–Water Clusters
          Lv, Sha-Sha and Miao, Shou-Kui and Ma, Yan and Zhang, Miao-Miao and Wen, Yang and Wang, Chun-Yu and Zhu, Yu-Peng and Huang, Wei
          The Journal of Physical Chemistry A, 2015, 119, 8657--8666, 32
          //pubs.acs.org/doi/abs/10.1021/acs.jpca.5b03325
        84. Article: Properties of Ammonium Ion–Water Clusters: Analyses of Structure Evolution, Noncovalent Interactions, and Temperature and Humidity Effects
          Pei, Shi-Tu and Jiang, Shuai and Liu, Yi-Rong and Huang, Teng and Xu, Kang-Ming and Wen, Hui and Zhu, Yu-Peng and Huang, Wei
          The Journal of Physical Chemistry A, 2015, 119, 3035--3047, 12
          //pubs.acs.org/doi/abs/10.1021/jp512323k
        85. Article: Stability of Hydrated Methylamine: Structural Characteristics and H2N··· H–O Hydrogen Bonds
          Lv, Sha-Sha and Liu, Yi-Rong and Huang, Teng and Feng, Ya-Juan and Jiang, Shuai and Huang, Wei
          The Journal of Physical Chemistry A, 2015, 119, 3770--3779, 16
          //pubs.acs.org/doi/abs/10.1021/acs.jpca.5b00616
        86. Article: Probing Structural Determinants of ATP-Binding Cassette Exporter Conformational Transition Using Coarse-Grained Molecular Dynamics
          Wang, Zi and Liao, Jie-Lou
          The Journal of Physical Chemistry B, 2015, 119, 1295--1301, 4, ACS Publications
        87. Article: QM/MM Investigation of ATP Hydrolysis in Aqueous Solution
          Wang, Cui and Huang, Wenting and Liao, Jie-Lou
          The Journal of Physical Chemistry B, 2015, 119, 3720--3726, 9, ACS Publications
        88. Article: Mechanistic study on the regioselectivity of Co-catalyzed hydroacylation of 1, 3-dienes
          Jiang, Yuan-Ye and Yu, Hai-Zhu and Shi, Jing
          Chinese Chemical Letters, 2015, 26, 58--62, 1
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        89. Article: Large eddy simulation of hydrogen/air scramjet combustion using tabulated thermo-chemistry approach
          Cao, Changmin and Ye, Taohong and Zhao, Majie
          Chinese Journal of Aeronautics, 2015, 0, Elsevier
        90. Article: First-Principles Study of Ca3Sc2Si3O12: Ce3+ Phosphors
          Ding, Wen and Wen, Jun and Cheng, Jun and Ning, Li-xin and Huang, Yu-cheng and Duan, Chang-kui and Yin, Min
          Chinese Journal of Chemical Physics, 2015, 28, 150--154, 2
          //scitation.aip.org/content/cps/journal/cjcp/28/2/10.1063/1674-0068/28/cjcp1411190?TRACK=RSS
        91. Article: First-Principles Study of Field Emission from Zigzag Graphene Nanoribbons Terminated with Ether Groups
          Chen, Xin and Li, Bin
          Chinese Journal of Chemical Physics, 2015, 28, 573--578, 5
          //scitation.aip.org/content/cps/journal/cjcp/28/5/10.1063/1674-0068/28/cjcp1505087?TRACK=RSS
        92. Article: First-Principles Study on Electronic and Optical Properties of Graphene-Like Boron Phosphide Sheets
          Wang, Shao-feng and Wu, Xiao-jun
          Chinese Journal of Chemical Physics, 2015, 28, 588--594, 5, Chinese Physical Society
        93. Article: SP3-Hybridization Feature of Ag4 Superatom in Superatomic Molecules?
          Yan, Li-juan and Cheng, Long-jiu and Yang, Jin-long
          Chinese Journal of Chemical Physics, 2015, 28, 476--480, 4
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        94. Article: Exploring positron characteristics utilizing two new positron–electron correlation schemes based on multiple electronic structure calculation methods
          Zhang Wen-Shuai and Gu Bing-Chuan and Han Xiao-Xi and Liu Jian-Dang and Ye Bang-Jiao
          Chinese Physics B, 2015, 24, 107804, 10
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        95. Article: Structural modeling of proteins by integrating small-angle x-ray scattering dataProject supported by the National Key Basic Research Program of China (Grant Nos. 2013CB910203 and 2011CB911104), the Na
          Yong-Hui, Zhang and Jun-Hui, Peng and Zhi-Yong, Zhang
          Chinese Physics B, 2015, 24, 126101, 12, IOP Publishing
        96. Article: Monte Carlo study of the effective electron beam shape in scanning electron microscopic imaging
          Zhang, Peng and Mao, Shifeng and Ding, Zejun
          European Physical Journal-Applied Physics, 2015, 69, 30703, 0
        97. Article: Further validation of liquid metal MHD code for unstructured grid based on OpenFOAM
          Feng, Jingchao and Chen, Hongli and He, Qingyun and Ye, Minyou
          Fusion Engineering and Design, 2015, 100, 260--264, 0
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        98. Article: Numerical Investigation of magnetohydrodynamic flow through Sudden expansion pipes in Liquid Metal Blankets
          Feng, Jingchao and He, Qingyun and Chen, Hongli and Ye, Minyou
          Fusion Engineering and Design, 2015, 0
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        99. Article: HONPAS: A linear scaling open-source solution for large system simulations
          Qin, Xinming and Shang, Honghui and Xiang, Hongjun and Li, Zhenyu and Yang, Jinlong
          International Journal of Quantum Chemistry, 2015, 115, 647--655, 10
          //onlinelibrary.wiley.com/doi/10.1002/qua.24837/full
        100. Article: Dissociative photoionization of ethyl acrylate: Theoretical and experimental insights
          Song, Yanlin and Chen, Jun and Ding, Mengmeng and Wei, Bin and Cao, Maoqi and Shan, Xiaobin and Zhao, Yujie and Huang, Chaoqun and Sheng, Liusi and Liu, Fuyi
          Journal of Molecular Structure, 2015, 1094, 83--90, 0
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        101. Article: Large eddy simulation of turbulent premixed combustion using tabulated detailed chemistry and presumed probability density function
          (葉桃紅)
          Journal of Turbulence( Accepted), 2015, 0
        102. Article: Mechanism of Pd-catalyzed selective CH activation of aliphatic amines via four-membered-ring cyclometallation pathway
          Zhang, Qi and Yu, Haizhu and Fu, Yao
          Science China Chemistry, 2015, 1--7, 0
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        103. Article: Redox potentials of trifluoromethyl-containing compounds
          Jiang, Yuanye and Yu, Haizhu and Fu, Yao and Liu, Lei
          Science China Chemistry, 2015, 58, 673--683, 4, Springer
        104. Article: Theoretical investigation of gold based model catalysts
          Zhang, Wenhua and Huang, Weixin and Yang, Jinlong
          Science China Chemistry, 2015, 58, 565--573, 4
          //link.springer.com/article/10.1007/s11426-015-5337-6
        105. Article: Large eddy simulation of unconfined turbulent swirling flow
          Zhang, HongDa and Han, Chao and Ye, TaoHong and Zhang, JiMin and Chen, YiLiang
          Science China Technological Sciences, 2015, 58, 1731--1744, 10
          //link.springer.com/article/10.1007/s11431-015-5912-2
        106. Article: Monte Carlo simulation of full energy spectrum of electrons emitted from silicon in Auger electron spectroscopy
          Cao, N. and Da, B. and Ming, Y. and Mao, S. F. and Goto, K. and Ding, Z. J.
          Surface and Interface Analysis, 2015, 47, 113--119, 1
          //onlinelibrary.wiley.com/doi/10.1002/sia.5682/pdf
        107. Article: 一種穩健的固體氧化物燃料電池抗積碳陽極 (英文)
          凌意瀚 and 王振斌 and 汪志全 and 彭冉冉 and 林彬 and 于偉利 and 陸亞林
          化學進展, 2015, 3, 006, 0
          //www.cnki.com.cn/Article/CJFDTotal-SCMA201503006.htm
        108. Article: 基于數值原子軌道基組的第一性原理計算軟件 ABACUS
          劉曉輝 and 陳默涵 and 李鵬飛 and 沈瑜 and 任新國 and 郭光燦 and 何力新
          物理學報, 2015, 64, 187104--187104, 18
        109. InCollection: An Investigation of Hybrid Tabu Search for the Traveling Salesman Problem
          Xu, Dan and Weise, Thomas and Wu, Yuezhong and L?ssig, J?rg and Chiong, Raymond
          物理學報, 2015, 523--537, 0, Springer
          //link.springer.com/chapter/10.1007/978-3-662-49014-3_47
        110. Article: Dissociative photoionization of b-pinene: an experimental and theoretical study
          Cao, Maoqi and Chen, Jun and Fang, Wenzheng and Li, Yuquan and Ge, Shaolin and Shan, Xiaobin and Liu, Fuyi and Zhao, Yujie and Wangd, Zhenya and Shenga, Liusi
          , 2015, 0
          //www.impublications.com/subs/ejms/v20/E20_0419.pdf
        111. InCollection: Hybrid Ejection Chain Methods for the Traveling Salesman Problem
          Liu, Weichen and Weise, Thomas and Wu, Yuezhong and Chiong, Raymond
          , 2015, 268--282, 0, Springer
          //link.springer.com/chapter/10.1007/978-3-662-49014-3_25
        112. InProceedings: Isotropic and Uniaxial Strain Induced Band Modulation of PbTe
          Wang, Xiaoguang and Sun, Yazhou and Peng, Liangming
          2015 International Conference on Materials, Environmental and Biological Engineering, 2015, 0, Atlantis Press
          //www.atlantis-press.com/php/download_paper.php?id=17943
        113. InProceedings: Local search for the Traveling Salesman Problem: A comparative study
          Wu, Yuezhong and Weise, Thomas and Chiong, Raymond
          Cognitive Informatics & Cognitive Computing (ICCI* CC), 2015 IEEE 14th International Conference on, 2015, 213--220, 0, IEEE
          //ieeexplore.ieee.org/xpls/abs_all.jsp?arnumber=7259388
        114. InProceedings: Optimized partial decoding in uplink network MIMO under constraint backhaul
          Wang, Shipeng and Chen, Li and Wei, Guo
          Wireless Communications and Networking Conference (WCNC), 2015 IEEE, 2015, 58--63, 0, IEEE
          //ieeexplore.ieee.org/xpls/abs_all.jsp?arnumber=7127445
        115. InProceedings: Pilot sequences allocation in TDD massive MIMO systems
          Yan, Xiangyu and Yin, Huarui and Xia, Mengbing and Wei, Guo
          Wireless Communications and Networking Conference (WCNC), 2015 IEEE, 2015, 1488--1493, 0, IEEE
          //ieeexplore.ieee.org/xpls/abs_all.jsp?arnumber=7127688
        116. Article: Ultrathin Spinel-Structured Nanosheets Rich in Oxygen Deficiencies for Enhanced Electrocatalytic Water Oxidation
          Bao, Jian and Zhang, Xiaodong and Fan, Bo and Zhang, Jiajia and Zhou, Min and Yang, Wenlong and Hu, Xin and Wang, Hui and Pan, Bicai and Xie, Yi
          Angewandte Chemie, 2015, 127, 7507--7512, 25, Wiley Online Library
        117. Article: Single layer of MX3 (M= Ti, Zr; X= S, Se, Te): a new platform for nano-electronics and optics
          Jin, Yingdi and Li, Xingxing and Yang, Jinlong
          arXiv preprint arXiv:1502.05108, 2015, 0
          //arxiv.org/abs/1502.05108
        118. Article: Multilayer C2N: Effect of Stacking Order and Number of Layers on Bandgap and Its Controlled Electronic Properties by External Electric Field
          Zhang, Ruiqi and Li, Bin and Yang, Jinlong
          arXiv preprint arXiv:1505.02584, 2015, 0
          //arxiv.org/abs/1505.02584
        119. Article: Bilayer C2N Nanosheet: A Promising Metal-free Photocatalyst for Water Splitting
          Zhang, Ruiqi and Yang, Jinlong
          arXiv preprint arXiv:1505.02768, 2015, 0
          //arxiv.org/abs/1505.02768
        120. Article: Negative Probability Sampling in Study of Reflection Surface Electron Spectroscopy Spectrum
          Da, Bo and Mao, Shifeng and Ding, ZheJun
          arXiv preprint arXiv:1505.06806, 2015, 0
          //arxiv.org/abs/1505.06806
        121. Article: Is phosphorene with intrinsic defect still an ideal anode material?
          Zhang, Ruiqi and Wu, Xiaojun and Yang, Jinlong
          arXiv preprint arXiv:1509.01884, 2015, 0
          //arxiv.org/abs/1509.01884
        122. Article: Experimental observation of edge states at the line junction of two oppositely biased bilayer graphene
          Li, J. and Wang, K. and McFaul, K. J. and Zern, Z. and Ren, Y. F. and Watanabe, K. and Taniguchi, T. and Qiao, Z. H. and Zhu, J.
          arXiv preprint arXiv:1509.03912, 2015, 0
          //arxiv.org/abs/1509.03912
        123. Article: The role of geometry and topological defects in the 1D zero-line modes of graphene
          Bi, Xintao and Jung, Jeil and Qiao, Zhenhua
          arXiv preprint arXiv:1509.09003, 2015, 0
          //arxiv.org/abs/1509.09003
        124. Article: Graphene/g-C2N bilayer: gap opening, enhanced visible light response and electrical field tuning band structure
          Guan, Zhaoyong and Li, Jia and Duan, Wenhui
          arXiv preprint arXiv:1510.09022, 2015, 0
          //arxiv.org/abs/1510.09022
        125. Article: Robust diamond-like Fe-Si network in the zero-strain NaxFeSiO4 Cathode
          Ye, Z. and Zhao, X. and Li, S. D. and Wu, S. Q. and Wu, P. and Nguyen, M. C. and Guo, J. H. and Mi, J. X. and Gong, Z. L. and Zhu, Z. Z. and others
          arXiv preprint arXiv:1512.03368, 2015, 0
          //arxiv.org/abs/1512.03368
        126. Article: Non-precious alloy encapsulated in nitrogen-doped graphene layers derived from MOFs as an active and durable hydrogen evolution reaction catalyst
          Yang, Yang and Lun, Zhengyan and Xia, Guoliang and Zheng, Fangcai and He, Mengni and Chen, Qianwang
          Energy & Environmental Science, 2015, 8, 3563--3571, 12, Royal Society of Chemistry
        127. Article: Cloud-Brain: A Knowledge-Based Development System for End-User in Cloud Computing.
          Zhou, Rui and Wang, Guowei and Wang, Jinghan and Li, Jing
          International Journal of Hybrid Information Technology, 2015, 8, 3
        128. Article: A case study of typhoon-induced gravity waves and the orographic impacts related to Typhoon Mindulle (2004) over Taiwan
          Wu, JF and Xue, XH and Hoffmann, L and Dou, XK and Li, HM and Chen, TD
          Journal of Geophysical Research: Atmospheres, 2015, 0, Wiley Online Library
        129. Article: Electrical control of carriers' spin orientation in the FeVTiSi Heusler alloy
          Zhang, Jiahui and Li, Xingxing and Yang, Jinlong
          Journal of Materials Chemistry C, 2015, 3, 2563--2567, 11
          //pubs.rsc.org/en/content/articlehtml/2015/tc/c4tc02587c
        130. Article: Mono-cadmium vs Mono-mercury Doping of Au25 Nanoclusters
          Yao, Chuanhao and Lin, Yue-jian and Yuan, Jinyun and Liao, Lingwen and Zhu, Min and Weng, Lin-hong and Yang, Jinlong and Wu, Zhikun
          Journal of the American Chemical Society, 2015, 137, 15350--15353, 49, ACS Publications
        131. Article: A robust carbon tolerant anode for solid oxide fuel cells
          Ling, Yihan and Wang, Zhenbin and Wang, Zhiquan and Peng, Ranran and Lin, Bin and Yu, Weili and Isimjan, Tayirjan T. and Lu, Yalin
          Science China Materials, 2015, 58, 204--212, 3
          //link.springer.com/article/10.1007/s40843-015-0033-6
        132. Article: 基于改進的MMC的稀疏拉格朗日模擬
          (葉桃紅)
          推進技術(已接受), 2015, 0
        133. Article: 高雷諾數湍流橫側射流的大渦模擬
          (葉桃紅)
          推進技術(已接受), 2015, 0

        2014年:112篇

        1. Article: Highly confined water: two-dimensional ice, amorphous ice, and clathrate hydrates
          Zhao, Wen-Hui and Wang, Lu and Bai, Jaeil and Yuan, Lan-Feng and Yang, Jinlong and Zeng, Xiao Cheng
          Accounts of Chemical Research, 2014, 47, 2505--2513, 8, ACS Publications
        2. Article: Enhanced Catalytic Activity toward O2 Reduction on Pt-Modified La1–x Sr x Co1–y Fe y O3- δ Cathode: A Combination Study of First-Principles Calculation and Experiment
          Yang, Wenqiang and Wang, Zhenbin and Wang, Zhiquan and Yang, Zhenghui and Xia, Changrong and Peng, Ranran and Wu, Xiaojun and Lu, Yalin
          ACS Applied Materials & Interfaces, 2014, 6, 21051--21059, 23
          //pubs.acs.org/doi/abs/10.1021/am505900g
        3. Article: Origin of High Photocatalytic Properties in the Mixed-Phase TiO2: A First-Principles Theoretical Study
          Ju, Ming-Gang and Sun, Guangxu and Wang, Jiajun and Meng, Qiangqiang and Liang, WanZhen
          ACS Applied Materials & Interfaces, 2014, 6, 12885--12892, 15
          //pubs.acs.org/doi/abs/10.1021/am502830m
        4. Article: Numerical analyses of the solubility trapping of CO 2 storage in geological formations
          Meng, Qingliang and Jiang, Xi
          Applied Energy, 2014, 130, 581--591, 0, Elsevier
        5. Article: Ferroelectric hexagonal and rhombic monolayer ice phases
          Zhao, Wen-Hui and Bai, Jaeil and Yuan, Lan-Feng and Yang, Jinlong and Zeng, Xiao Cheng
          Chemical Science, 2014, 5, 1757--1764, 5
          //pubs.rsc.org/en/content/articlehtml/2014/sc/c3sc53368a
        6. Article: Enhanced photocatalytic mechanism for the hybrid gC 3 N 4/MoS 2 nanocomposite
          Wang, Jiajun and Guan, Zhaoyong and Huang, Jing and Li, Qunxiang and Yang, Jinlong
          Journal of Materials Chemistry A, 2014, 2, 7960--7966, 21
          //pubs.rsc.org/en/content/articlehtml/2014/ta/c4ta00275j
        7. Article: First-principles study of O 2 reduction on BaZr 1- x Co x O 3 cathodes in protonic-solid oxide fuel cells
          Wang, Zhenbin and Yang, Wenqiang and Zhu, Zhuoying and Peng, Ranran and Wu, Xiaojun and Xia, Changrong and Lu, Yalin
          Journal of Materials Chemistry A, 2014, 2, 16707--16714, 39
          //pubs.rsc.org/en/content/articlehtml/2014/ta/c4ta01652a
        8. Article: CrXTe 3 (X= Si, Ge) nanosheets: two dimensional intrinsic ferromagnetic semiconductors
          Li, Xingxing and Yang, Jinlong
          Journal of Materials Chemistry C, 2014, 2, 7071--7076, 34
          //pubs.rsc.org/en/content/articlehtml/2014/tc/c4tc01193g
        9. Article: Carbon-tolerant solid oxide fuel cells using NiTiO 3 as an anode internal reforming layer
          Wang, Zhiquan and Wang, Zhenbin and Yang, Wenqiang and Peng, Ranran and Lu, Yalin
          Journal of Power Sources, 2014, 255, 404--409, 0, Elsevier
        10. Article: Highly efficient light-harvesting boradiazaindacene sensitizers for dye-sensitized solar cells featuring phenothiazine donor antenna
          Mao, Mao and Zhang, Xiao-Lin and Fang, Xia-Qin and Wu, Guo-Hua and Dai, Song-Yuan and Song, Qin-Hua and Zhang, Xian-Xi
          Journal of Power Sources, 2014, 268, 965--976, 0
          //www.sciencedirect.com/science/article/pii/S037877531400771X
        11. Article: Half-Metallicity in MnPSe3 Exfoliated Nanosheet with Carrier Doping
          Li, Xingxing and Wu, Xiaojun and Yang, Jinlong
          Journal of the American Chemical Society, 2014, 136, 11065--11069, 31
          //pubs.acs.org/doi/abs/10.1021/ja505097m
        12. Article: Mechanistic Study of Chemoselectivity in Ni-Catalyzed Coupling Reactions between Azoles and Aryl Carboxylates
          Lu, Qianqian and Yu, Haizhu and Fu, Yao
          Journal of the American Chemical Society, 2014, 136, 8252--8260, 23
          //pubs.acs.org/doi/abs/10.1021/ja4127455
        13. Article: Obtaining Two-Dimensional Electron Gas in Free Space without Resorting to Electron Doping: An Electride Based Design
          Zhao, Songtao and Li, Zhenyu and Yang, Jinlong
          Journal of the American Chemical Society, 2014, 136, 13313--13318, 38
          //pubs.acs.org/doi/abs/10.1021/ja5065125
        14. Article: Room-Temperature Half-Metallicity in La (Mn, Zn) AsO Alloy via Element Substitutions
          Li, Xingxing and Wu, Xiaojun and Yang, Jinlong
          Journal of the American Chemical Society, 2014, 136, 5664--5669, 15
          //pubs.acs.org/doi/abs/10.1021/ja412317s
        15. Article: Fast colloidal synthesis of scalable Mo-rich hierarchical ultrathin MoSe 2- x nanosheets for high-performance hydrogen evolution
          Zhou, Xiaoli and Jiang, Jun and Ding, Tao and Zhang, Jiajia and Pan, Bicai and Zuo, Jian and Yang, Qing
          Nanoscale, 2014, 6, 11046--11051, 19
          //pubs.rsc.org/en/content/articlehtml/2014/nr/c4nr02716g
        16. Article: High lithium anodic performance of highly nitrogen-doped porous carbon prepared from a metal-organic framework
          Zheng, Fangcai and Yang, Yang and Chen, Qianwang
          Nature Communications, 2014, 5, 0
          //www.nature.com/ncomms/2014/141106/ncomms6261/full/ncomms6261.html?WT.ec_id=NCOMMS-20141111
        17. Article: Evidence of van Hove Singularities in Ordered Grain Boundaries of Graphene
          Ma, Chuanxu and Sun, Haifeng and Zhao, Yeliang and Li, Bin and Li, Qunxiang and Zhao, Aidi and Wang, Xiaoping and Luo, Yi and Yang, Jinlong and Wang, Bing and others
          Physical Review Letters, 2014, 112, 226802, 22, APS
        18. Article: Proposed Photosynthesis Method for Producing Hydrogen from Dissociated Water Molecules Using Incident Near-Infrared Light
          Li, Xingxing and Li, Zhenyu and Yang, Jinlong
          Physical Review Letters, 2014, 112, 018301, 1
          //journals.aps.org/prl/abstract/10.1103/PhysRevLett.112.018301
        19. Article: Mechanisms of Graphene Growth on Metal Surfaces: Theoretical Perspectives
          Wu, Ping and Zhang, Wenhua and Li, Zhenyu and Yang, Jinglong
          Small, 2014, 10, 2136--2150, 11
          //onlinelibrary.wiley.com/doi/10.1002/smll.201303680/full
        20. Article: DNA conformational flexibility study using phosphate backbone neutralization model
          Xiao, Shiyan and Zhu, Hong and Wang, Lei and Liang, Haojun
          Soft Matter, 2014, 10, 1045--1055, 7
          //pubs.rsc.org/en/content/articlehtml/2014/sm/c3sm52345d
        21. Article: Camel-back band-induced power factor enhancement of thermoelectric lead-tellurium from Boltzmann transport calculations
          Wang, X. G. and Wang, L. and Liu, J. and Peng, L. M.
          Applied Physics Letters, 2014, 104, 132106, 13
          //scitation.aip.org/content/aip/journal/apl/104/13/10.1063/1.4870494
        22. Article: SiN-SiC nanofilm: A nano-functional ceramic with bipolar magnetic semiconducting character
          Zhang, Jiahui and Li, Xingxing and Yang, Jinlong
          Applied Physics Letters, 2014, 104, 172403, 17
          //scitation.aip.org/content/aip/journal/apl/104/17/10.1063/1.4874335
        23. Article: Experimental and kinetic modeling study on methylcyclohexane pyrolysis and combustion
          Wang, Zhandong and Ye, Lili and Yuan, Wenhao and Zhang, Lidong and Wang, Yizun and Cheng, Zhanjun and Zhang, Feng and Qi, Fei
          Combustion and Flame, 2014, 161, 84--100, 1, Elsevier
        24. Article: Development of an analytical method and its quick algorithm to calculate the solar energy collected by a heliostat field in a year
          Huang, Weidong and Xu, Qian
          Energy Conversion and Management, 2014, 83, 110--118, 0
          //www.sciencedirect.com/science/article/pii/S0196890414002660
        25. Article: Performance comparison of solar parabolic trough system with glass and film reflector
          Xu, Qian and Li, Longlong and Li, Huairui and Huang, Weidong and Li, Yongping
          Energy Conversion and Management, 2014, 85, 581--590, 0, Elsevier
        26. Article: Transition metal atom embedded graphene for capturing CO: A first-principles study
          Wang, Lei and Luo, Qiquan and Zhang, Wenhua and Yang, Jinlong
          International Journal of Hydrogen Energy, 2014, 39, 20190--20196, 35
          //www.sciencedirect.com/science/article/pii/S0360319914028377
        27. Article: The wurtzite–rocksalt phase transition for a BexMgyZn 1- x- yO alloy: Be content vs Mg content
          Yong, D. Y. and He, H. Y. and Su, L. X. and Zhu, Y. and Tang, Z. K. and Pan, B. C.
          Journal of alloys and compounds, 2014, 608, 197--201, 0
          //www.sciencedirect.com/science/article/pii/S0925838814009359
        28. Article: Study of Cl-(H2O) n (n= 1--4) using basin-hopping method coupled with density functional theory
          Jiang, Shuai and Liu, Yi-Rong and Huang, Teng and Wen, Hui and Xu, Kang-Ming and Zhao, Wei-Xiong and Zhang, Wei-Jun and Huang, Wei
          Journal of computational chemistry, 2014, 35, 159--165, 2, Wiley Online Library
        29. Article: 2, 6-Conjugated Bodipy sensitizers for high-performance dye-sensitized solar cells
          Mao, Mao and Zhang, Xiao-Lin and Fang, Xia-Qin and Wu, Gua-Hua and Ding, Yong and Liu, Xiu-Lin and Dai, Song-Yuan and Song, Qin-Hua
          Organic Electronics, 2014, 15, 2079--2090, 9
          //www.sciencedirect.com/science/article/pii/S1566119914002031
        30. Article: Theoretical Study on Homogeneous Hydrogen Activation Catalyzed by Cationic Ag (I) Complex
          Jiang, Yuan-Ye and Yu, Hai-Zhu and Fu, Yao
          Organometallics, 2014, 33, 6577--6584, 22
          //pubs.acs.org/doi/abs/10.1021/om500921d
        31. Article: A first-principles study of gas adsorption on germanene
          Xia, Wenqi and Hu, Wei and Li, Zhenyu and Yang, Jinlong
          Physical Chemistry Chemical Physics, 2014, 16, 22495--22498, 41
          //pubs.rsc.org/en/content/articlehtml/2014/cp/c4cp03292f
        32. Article: An atomistic insight into the corrosion of the oxide film in liquid lead–bismuth eutectic
          Li, Dongdong and Song, Chi and He, H. Y. and Liu, C. S. and Pan, B. C.
          Physical Chemistry Chemical Physics, 2014, 16, 7417--7422, 16
          //pubs.rsc.org/en/content/articlehtml/2014/cp/c3cp54377c
        33. Article: Different aggregation dynamics of benzene–water mixtures
          Fu, Cen-Feng and Tian, Shan Xi
          Physical Chemistry Chemical Physics, 2014, 16, 21957--21963, 40
          //pubs.rsc.org/en/content/articlepdf/2014/cp/c4cp01537a
        34. Article: Enhancing the efficiency of lithium intercalation in carbon nanotube bundles using surface functional groups
          Xiao, Shiyan and Zhu, Hong and Wang, Lei and Chen, Liping and Liang, Haojun
          Physical Chemistry Chemical Physics, 2014, 16, 16003--16012, 30
          //pubs.rsc.org/en/content/articlehtml/2014/cp/c4cp01990c
        35. Article: Silicene as a highly sensitive molecule sensor for NH 3, NO and NO 2
          Hu, Wei and Xia, Nan and Wu, Xiaojun and Li, Zhenyu and Yang, Jinlong
          Physical Chemistry Chemical Physics, 2014, 16, 6957--6962, 15
          //pubs.rsc.org/en/content/articlehtml/2014/cp/c3cp55250k
        36. Article: Strain-induced phase transition of a C 58 solid
          Yang, L. and He, H. Y. and Hu, J. and Pan, B. C.
          Physical Chemistry Chemical Physics, 2014, 16, 25176--25181, 45
          //pubs.rsc.org/en/content/articlehtml/2014/cp/c4cp03426k
        37. Article: Theoretical study of temperature dependence and Rayleigh scattering properties of chloride hydration clusters
          Jiang, Shuai and Huang, Teng and Liu, Yi-Rong and Xu, Kang-Ming and Zhang, Yang and Lv, Yu-Zhou and Huang, Wei
          Physical Chemistry Chemical Physics, 2014, 16, 19241--19249, 36
          //pubs.rsc.org/en/content/articlehtml/2014/cp/c4cp02618g
        38. Article: Identifying isomers of carbon-dioxide clusters by laser-driven Coulomb explosion
          Xie, Xiguo and Wu, Cong and Liu, Yirong and Huang, Wei and Deng, Yongkai and Liu, Yunquan and Gong, Qihuang and Wu, Chengyin
          Physical Review A, 2014, 90, 033411, 3, APS
        39. Article: Hierarchical equations of motion for an impurity solver in dynamical mean-field theory
          Hou, Dong and Wang, Rulin and Zheng, Xiao and Tong, NingHua and Wei, JianHua and Yan, YiJing
          Physical Review B, 2014, 90, 045141, 4, APS
        40. Article: NNLO QCD corrections to Higgs pair production via vector boson fusion at hadron colliders
          Ling, Liu-Sheng and Zhang, Ren-You and Ma, Wen-Gan and Guo, Lei and Li, Wei-Hua and Li, Xiao-Zhou
          Physical Review D, 2014, 89, 073001, 7
          //journals.aps.org/prd/abstract/10.1103/PhysRevD.89.073001
        41. Article: A theoretical study of single-atom catalysis of CO oxidation using Au embedded 2D h-BN monolayer: a CO-promoted O2 activation
          Mao, Keke and Li, Lei and Zhang, Wenhua and Pei, Yong and Zeng, Xiao Cheng and Wu, Xiaojun and Yang, Jinlong
          Scientific reports, 2014, 4, 0
          //www.nature.com/srep/2014/140625/srep05441/full/srep05441.html?message-global=remove
        42. Article: Complete mineralization of perfluorooctanoic acid (PFOA) by [ggr]-irradiation in aqueous solution
          Zhang, Ze and Chen, Jie-Jie and Lyu, Xian-Jin and Yin, Hao and Sheng, Guo-Ping
          Scientific reports, 2014, 4, 0, Nature Publishing Group
        43. Article: Experimental and theoretical approaches for the surface interaction between copper and activated sludge microorganisms at molecular scale
          Luo, Hong-Wei and Chen, Jie-Jie and Sheng, Guo-Ping and Su, Ji-Hu and Wei, Shi-Qiang and Yu, Han-Qing
          Scientific reports, 2014, 4, 0, Nature Publishing Group
        44. Article: Experimental and Theoretical Demonstrations for the Mechanism behind Enhanced Microbial Electron Transfer by CNT Network
          Liu, Xian-Wei and Chen, Jie-Jie and Huang, Yu-Xi and Sun, Xue-Fei and Sheng, Guo-Ping and Li, Dao-Bo and Xiong, Lu and Zhang, Yuan-Yuan and Zhao, Feng and Yu, Han-Qing
          Scientific reports, 2014, 4, 0, Nature Publishing Group
        45. Article: Optical performance of an azimuth tracking linear Fresnel solar concentrator
          Huang, Farong and Li, Longlong and Huang, Weidong
          Solar Energy, 2014, 108, 1--12, 0
          //www.sciencedirect.com/science/article/pii/S0038092X14003272
        46. Article: ELUCID—Exploring the Local Universe with the Reconstructed Initial Density Field. I. Hamiltonian Markov Chain Monte Carlo Method with Particle Mesh Dynamics
          Wang, Huiyuan and Mo, HJ and Yang, Xiaohu and Jing, YP and Lin, WP
          The Astrophysical Journal, 2014, 794, 94, 1, IOP Publishing
        47. Article: Assessment of mode-mixing and Herzberg-Teller effects on two-photon absorption and resonance hyper-Raman spectra from a time-dependent approach
          Ma, HuiLi and Zhao, Yi and Liang, WanZhen
          The Journal of chemical physics, 2014, 140, 094107, 9
          //scitation.aip.org/content/aip/journal/jcp/140/9/10.1063/1.4867273
        48. Article: Boron-tuning transition temperature of vanadium dioxide from rutile to monoclinic phase
          Zhang, J. J. and He, H. Y. and Xie, Y. and Pan, B. C.
          The Journal of chemical physics, 2014, 141, 194707, 19
          //scitation.aip.org/content/aip/journal/jcp/141/19/10.1063/1.4901514
        49. Article: Communication: Asymmetrical cation movements through G-quadruplex DNA
          Zhu, Hong and Xiao, Shiyan and Wang, Lei and Liang, Haojun
          The Journal of Chemical Physics, 2014, 141, 041103, 4
          //scitation.aip.org/content/aip/journal/jcp/141/4/10.1063/1.4891218
        50. Article: Electronic structure and aromaticity of large-scale hexagonal graphene nanoflakes
          Hu, Wei and Lin, Lin and Yang, Chao and Yang, Jinlong
          The Journal of chemical physics, 2014, 141, 214704, 21
          //scitation.aip.org/content/aip/journal/jcp/141/21/10.1063/1.4902806
        51. Article: Bilayer graphene growth via a penetration mechanism
          Wu, Ping and Zhai, Xiaofang and Li, Zhenyu and Yang, Jinlong
          The Journal of Physical Chemistry C, 2014, 118, 6201--6206, 12
          //pubs.acs.org/doi/abs/10.1021/jp4108156
        52. Article: Density functional study of nonlinear optical properties of grossly warped nanographene C80H30
          Dai, Yafei and Li, Zhenyu and Yang, Jinlong
          The Journal of Physical Chemistry C, 2014, 118, 3313--3318, 6
          //pubs.acs.org/doi/abs/10.1021/jp409899n
        53. Article: High-Pressure Raman Study of [2.2] Paracyclophane
          Li, Wei and Sui, Zhilei and Liu, Huarong and Zhang, Zengming and Liu, Hewen
          The Journal of Physical Chemistry C, 2014, 118, 16028--16034, 29
          //pubs.acs.org/doi/abs/10.1021/jp504390u
        54. Article: High-Pressure Raman Study of [2.2]Paracyclophane
          Wei Li and Zhilei Sui and Huarong Liu and Zengming Zhang and Hewen Liu
          The Journal of Physical Chemistry C, 2014, 118, 16028-16034, 29
          //dx.doi.org/10.1021/jp504390u
        55. Article: Metal-Free Magnetism and Half-Metallicity of Carbon Nitride Nanotubes: A First-Principles Study
          Guan, Zhaoyong and Wang, Jiajun and Huang, Jing and Wu, Xiaojun and Li, Qunxiang and Yang, Jinlong
          The Journal of Physical Chemistry C, 2014, 118, 22491--22498, 39, ACS Publications
        56. Article: Methanol-selective oxidation pathways on Au surfaces: a first-principles study
          Wang, Lei and He, Chaozheng and Zhang, Wenhua and Li, Zhenyu and Yang, Jinlong
          The Journal of Physical Chemistry C, 2014, 118, 17511--17520, 31
          //pubs.acs.org/doi/abs/10.1021/jp501620h
        57. Article: Study of Phase Stability and Hydride Diffusion Mechanism of BaTiO3 Oxyhydride from First-Principles
          Zhang, Jiajia and Gou, Gaoyang and Pan, Bicai
          The Journal of Physical Chemistry C, 2014, 118, 17254--17259, 31
          //pubs.acs.org/doi/abs/10.1021/jp5030334
        58. Article: Porous boron nitride with tunable pore size
          Dai, Jun and Wu, Xiaojun and Yang, Jinlong and Zeng, Xiao Cheng
          The Journal of Physical Chemistry Letters, 2014, 5, 393--398, 2, ACS Publications
        59. Article: Interplay of the doped Ge atoms and the N vacancies with the negative thermal expansion of M3 (Cu1- x Ge x) N1- y
          Qu, B. Y. and He, H. Y. and Pan, B. C.
          Applied Physics A, 2014, 114, 785--791, 3
          //link.springer.com/article/10.1007/s00339-013-7650-2
        60. Article: Redox reaction characteristics of riboflavin: A fluorescence spectroelectrochemical analysis and density functional theory calculation
          Chen, Wei and Chen, Jie-Jie and Lu, Rui and Qian, Chen and Li, Wen-Wei and Yu, Han-Qing
          Bioelectrochemistry, 2014, 98, 103--108, 0
          //www.sciencedirect.com/science/article/pii/S1567539414000620
        61. Article: The influence of N-doped carbon materials on supported Pd: enhanced hydrogen storage and oxygen reduction performance
          Kong, Xiang-Kai and Chen, Qian-Wang and Lun, Zheng-Yan
          ChemPhysChem, 2014, 15, 344--350, 2
          //onlinelibrary.wiley.com/doi/10.1002/cphc.201300907/full
        62. Article: A Monte Carlo study of reflection electron energy loss spectroscopy spectrum of a carbon contaminated surface
          Da, B. and Li, Z. Y. and Chang, H. C. and Mao, S. F. and Ding, Z. J.
          Journal of Applied Physics, 2014, 116, 124307, 12
          //scitation.aip.org/content/aip/journal/jap/116/12/10.1063/1.4896526
        63. Article: Band-gap engineering in fluorographene nanoribbons under uniaxial strain
          Zhang, Yan and Li, Qunxiang
          Journal of Applied Physics, 2014, 115, 044305, 4
          //scitation.aip.org/content/aip/journal/jap/115/4/10.1063/1.4863335
        64. Article: Structure of Cu64. 5Zr35. 5 metallic glass by reverse Monte Carlo simulations
          Fang, Xikui W and Huang, Li and Wang, Cai-Zhuang and Ho, Kai-Ming and Ding, ZJ
          Journal of Applied Physics, 2014, 115, 053522, 5, AIP Publishing
        65. Article: Insight into the binding modes and inhibition mechanisms of adamantyl-based 1, 3-disubstituted urea inhibitors in the active site of the human soluble epoxide hydrolase
          Chen, Hang and Zhang, Ying and Ye, Chun and Feng, Ting T. and Han, Ju G.
          Journal of Biomolecular Structure & Dynamics, 2014, 32, 1231--1247, 8
          //www.tandfonline.com/doi/abs/10.1080/07391102.2013.812981
        66. Article: Study of photoionization and dissociative photoionization of carbon monoxide from ionization threshold to 38eV by using synchrotron radiation
          Zhao, Yujie and Cao, Maoqi and Li, Yuquan and Shan, Xiaobin and Liu, Fuyi and Sheng, Liusi and Li, Li and Liu, Wanfang
          Journal of Electron Spectroscopy and Related Phenomena, 2014, 196, 181--186, 0, Elsevier
        67. Article: Formation of hexagonal pattern of ferrofluid in magnetic field
          Cao, Yuan and Ding, Z. J.
          Journal of Magnetism and Magnetic Materials, 2014, 355, 93--99, 0
          //www.sciencedirect.com/science/article/pii/S0304885313008809
        68. Article: First principles study of fluorine substitution on two-dimensional germanane
          Hu, Lin and Zhao, Jin and Yang, Jinlong
          Journal of Physics: Condensed Matter, 2014, 26, 335302, 33
          //iopscience.iop.org/0953-8984/26/33/335302
        69. Article: Optical properties of nickel derived from reflection electron energy loss spectra
          Bereczky, RJ and T'oth, J and Da, B and Mao, SF and Ding, ZJ and T"ok'esi, K
          Journal of Physics: Conference Series, 2014, 488, 132007, 13, IOP Publishing
        70. Article: Characterization of oxygen impurity in silicon nitride storage layer: A first-principles investigation
          Luo, Jing and Lu, Jinlong and Zhao, Hongpeng and Dai, Yuehua and Liu, Qi and Yang, Jin and Jiang, Xianwei and Xu, Huifang
          Physica Status Solidi B, 2014, 251, 1212--1218, 6
          //onlinelibrary.wiley.com/doi/10.1002/pssb.201350058/full
        71. Article: Interaction of H with stacking fault in W (111) film: A possible formation mechanism of H bubbles
          Ding, W. Y. and He, H. Y. and Pan, B. C.
          RSC Advances, 2014, 4, 7030--7034, 14
          //pubs.rsc.org/en/content/articlehtml/2014/ra/c3ra45099f
        72. Article: Probing the 2D-to-3D structural transition in gold clusters with a single sulfur atom: Au x S 0,$pm$1 (x= 1--10)
          Wen, Hui and Liu, Yi-Rong and Xu, Kang-Ming and Huang, Teng and Hu, Chang-Jin and Zhang, Wei-Jun and Huang, Wei
          RSC Advances, 2014, 4, 15066--15076, 29, Royal Society of Chemistry
        73. Article: Theoretical studies of the hydration reactions of stabilized Criegee intermediates from the ozonolysis of β-pinene
          Lin, Xiao-Xiao and Liu, Yi-Rong and Huang, Teng and Xu, Kang-Ming and Zhang, Yang and Jiang, Shuai and Gai, Yan-Bo and Zhang, Wei-Jun and Huang, Wei
          RSC Advances, 2014, 4, 28490--28498, 54
          //pubs.rsc.org/en/content/articlehtml/2014/ra/c4ra04172k
        74. Article: Efficient Method for Fast Simulation of Scanning Tunneling Microscopy with a Tip Effect
          Zhang, Ruiqi and Hu, Zhenpeng and Li, Bin and Yang, Jinlong
          The Journal of Physical Chemistry A, 2014, 118, 8953--8959, 39
          //pubs.acs.org/doi/abs/10.1021/jp5018218
        75. Article: Structural Exploration of Water, Nitrate/Water, and Oxalate/Water Clusters with Basin-Hopping Method Using a Compressed Sampling Technique
          Liu, Yi-Rong and Wen, Hui and Huang, Teng and Lin, Xiao-Xiao and Gai, Yan-Bo and Hu, Chang-Jin and Zhang, Wei-Jun and Huang, Wei
          The Journal of Physical Chemistry A, 2014, 118, 508--516, 2
          //pubs.acs.org/doi/abs/10.1021/jp4109128
        76. Article: Theoretical Study of the Hydration of Atmospheric Nucleation Precursors with Acetic Acid
          Zhu, Yu-Peng and Liu, Yi-Rong and Huang, Teng and Jiang, Shuai and Xu, Kang-Ming and Wen, Hui and Zhang, Wei-Jun and Huang, Wei
          The Journal of Physical Chemistry A, 2014, 118, 7959--7974, 36
          //pubs.acs.org/doi/abs/10.1021/jp506226z
        77. Article: Magnesium-dependent RNA binding to the PA endonuclease domain of the avian influenza polymerase
          Xiao, Shiyan and Klein, Michael L and LeBard, David N and Levine, Benjamin G and Liang, Haojun and MacDermaid, Christopher M and Alfonso-Prieto, Mercedes
          The Journal of Physical Chemistry B, 2014, 118, 873--889, 4, ACS Publications
        78. Article: Transition between direct gap and indirect gap in two dimensional hydrogenated honeycomb Si x Ge1- x alloys
          Xia, Nan and Yuan, Lan-Feng and Yang, Jinlong
          Theoretical Chemistry Accounts, 2014, 133, 1--5, 10, Springer
        79. Article: Density Functional theory investigations on the geometrical and electronic properties and growth patterns of Si n (n= 10–20) clusters with bimetal Pd 2 impurities
          Zhao, Run-Ning and Han, Ju-Guang and Duan, Yuhua
          Thin Solid Films, 2014, 556, 571--579, 0
          //www.sciencedirect.com/science/article/pii/S0040609014001540
        80. Article: Theoretical Study on the Mechanism of the Imine-induced Tetrapeptides Cyclization
          Yan, Tian and Yao, Fu and Qi, Zhang and Haizhu, Yu and Jing, Shi
          Acta Chimica Sinica, 2014, 72, 935--941, 8, SCIENCE PRESS 16 DONGHUANGCHENGGEN NORTH ST, BEIJING 100717, PEOPLES R CHINA
        81. Article: Rh (I)-catalyzed borylation of primary alkyl chlorides
          Gong, Tian-Jun and Jiang, Yuan-Ye and Fu, Yao
          Chinese Chemical Letters, 2014, 25, 397--400, 3
          //www.sciencedirect.com/science/article/pii/S1001841714000072
        82. Article: Electron Momentum Spectroscopy of Valence Orbitals of n-Propyl Iodide: Spin-Orbit Coupling Effect and Intramolecular Orbital Interaction
          Wang, En-liang and Shi, Yu-feng and Shan, Xu and Yang, Hong-jiang and Zhang, Wei and Chen, Xiang-jun
          Chinese Journal of Chemical Physics, 2014, 27, 503--511, 5
          //scitation.aip.org/content/cps/journal/cjcp/27/5/10.1063/1674-0068/27/05/503-511?TRACK=RSS
        83. Article: New hexagonal-rhombic trilayer ice structure confined between hydrophobic plates
          Jia, Min and Zhao, Wen-hui and Yuan, Lan-feng
          Chinese Journal of Chemical Physics, 2014, 27, 15--19, 1
          //scitation.aip.org/content/cps/journal/cjcp/27/1/10.1063/1674-0068/27/01/15-19
        84. Article: Theoretical Investigations on Graphite Oxide Immersed in Water or Methanol
          Geng, Wan-wan and Zhao, Wen-hui and Yuan, Lan-feng
          Chinese Journal of Chemical Physics, 2014, 27, 9--14, 1
          //scitation.aip.org/content/cps/journal/cjcp/27/1/10.1063/1674-0068/27/01/9-14
        85. Article: Uniform BCN Ternary Monolayer from Non-Metal Filled g-C3N4 Sheet
          Zhang, Na and Wu, Xiao-jun
          Chinese Journal of Chemical Physics, 2014, 27, 394--398, 4
          //scitation.aip.org/content/cps/journal/cjcp/27/4/10.1063/1674-0068/27/04/394-398
        86. Article: A 1, 2, 3, 4-Tetrahydrofullerene Derivative Generated from a [60] Fulleroindoline: Regioselective Electrosynthesis and Computational Study
          Xiao, Yang and Wang, Guanwu
          Chinese Journal of Chemistry, 2014, 32, 699--702, 8
          //onlinelibrary.wiley.com/doi/10.1002/cjoc.201400205/abstract
        87. Article: Accurate Prediction of Ir? H Bond Dissociation Enthalpies by Density Functional Theory Methods
          Zhou, Yi and Liu, Dingjia and Fu, Yao and Yu, Haizhu and Shi, Jing
          Chinese Journal of Chemistry, 2014, 32, 269--275, 3, Wiley Online Library
        88. Article: Theoretical study on mechanism of reactions of triarylphosphines with S-nitrosated proteins
          Wang, Chen and Qi, Chenze
          Computational and Theoretical Chemistry, 2014, 1027, 11--18, 0
          //www.sciencedirect.com/science/article/pii/S2210271X13004593
        89. Article: Dissociative photoionization of β-pinene: An experimental and theoretical study
          Liusi Sheng and Maoqi Cao and Jun Chen and Wenzhen Fang and Yuquan Li and Shaolin Ge and Xiaobin Shan and Fuyi Liu and Yujie Zhao and Zhenya Wang Zhenya Wang
          European Journal of Mass Spectrometry, 2014, 20, 419-428, 6
          //dx.doi.org/10.1255/ejms.1304
        90. Article: Investigation on the mechanism for the binding and drug resistance of wild type and mutations of G86 residue in HIV-1 protease complexed with Darunavir by molecular dynamic simulation and free energy
          Li, Dan and Zhang, Ying and Zhao, Run-Ning and Fan, Song and Han, Ju-Guang
          Journal of molecular modeling, 2014, 20, 1--11, 2
          //link.springer.com/article/10.1007/s00894-014-2122-y
        91. Article: Thermodynamic and conformational insights into the phase transition of a single flexible homopolymer chain using replica exchange Monte Carlo method
          Wang, Lei and Li, Ningning and Xiao, Shiyan and Liang, Haojun
          Journal of molecular modeling, 2014, 20, 1--10, 7, Springer
        92. Article: Experimental and theoretical study on the dissociative photoionization of trans-2-methyl-2-butenal
          Li, Yuquan and Cao, Maoqi and Chen, Jun and Song, Yanlin and Shan, Xiaobin and Zhao, Yujie and Liu, Fuyi and Wang, Zhenya and Sheng, Liusi
          Journal of Molecular Structure, 2014, 1068, 130--139, 0
          //www.sciencedirect.com/science/article/pii/S0022286014002890
        93. Article: Possible effects of the large extra dimensions on ZZW production at the LHC
          Chen, Chong and Guo, Lei and Ma, Wen-Gan and Zhang, Ren-You and Li, Xiao-Zhou and Zhang, Yu
          Modern Physics Letters A, 2014, 29, 1450153, 31
          //www.worldscientific.com/doi/abs/10.1142/S0217732314501533
        94. Article: Strain-dependent diffusion behavior of H within tungsten
          Ding, Wenyi and He, Haiyan and Liu, Changsong and Ding, Rui and Chen, Junling and Pan, Bicai
          Physica B: Condensed Matter, 2014, 443, 76--79, 0
          //www.sciencedirect.com/science/article/pii/S0921452614001811
        95. Article: A study on large coherent structures and noise emission in a turbulent round jet
          Wan, ZhenHua and Zhou, Lin and Sun, DeJun
          Science China Physics, Mechanics & Astronomy, 2014, 57, 1552--1562, 8, Springer
        96. Article: Quantification of surface roughness effect on elastically backscattered electrons
          Ding, X. and Da, B. and Gong, J. B. and Mao, S. F. and Li, H. M. and Ding, Z. J.
          Surface and Interface Analysis, 2014, 46, 489--496, 7
          //onlinelibrary.wiley.com/doi/10.1002/sia.5554/full
        97. Article: Simulation study of the atomic resolution secondary electron imaging
          Ruan, Z and Zhang, M and Zeng, RG and Ming, Y and Da, B and Mao, SF and Ding, ZJ
          Surface and Interface Analysis, 2014, 46, 1296--1300, 12, Wiley Online Library
        98. Article: The hydrogenation-dependent thermal expansion properties of hydrogenated graphene
          He, Haiyan and Pan, Bicai
          The European Physical Journal B, 2014, 87, 1--6, 2, Springer
        99. Article: Multiple-relaxation-time lattice Boltzmann method for study of two-lid-driven cavity flow solution multiplicity
          Guo, Xixiong and Zhong, Chengwen and Zhuo, Congshan and Cao, Jun
          Theoretical and Computational Fluid Dynamics, 2014, 28, 215--231, 2
          //link.springer.com/article/10.1007/s00162-013-0312-3
        100. Article: 高分子納米復合材料拉伸及壓縮的分子動力學模擬
          李寧寧 and 王雷 and 劉源 and 梁好均
          高分子學報, 2014, 1292--1300, 9
        101. InProceedings: Comparing a hybrid branch and bound algorithm with evolutionary computation methods, local search and their hybrids on the TSP
          Jiang, Yan and Weise, Thomas and Lassig, Jorg and Chiong, Raymond and Athauda, Rukshan
          Computational Intelligence in Production and Logistics Systems (CIPLS), 2014 IEEE Symposium on, 2014, 148--155, 0, IEEE
          //ieeexplore.ieee.org/xpls/abs_all.jsp?arnumber=7007174
        102. Article: Degree-layer theory of network topology
          Zhou, Bin and Wang, Bing-Hong and Zhe, He
          arXiv preprint arXiv:1409.5298, 2014, 0
          //arxiv.org/abs/1409.5298
        103. Article: First-principles Study of the Interactions of Electron Donor and Acceptor Molecules with Phosphorene
          Zhang, Ruiqi and Li, Bin and Yang, Jinlong
          arXiv preprint arXiv:1409.7190, 2014, 0
          //arxiv.org/abs/1409.7190
        104. Article: First-Principles Study of Hybrid Graphene and MoS $ \_2 $ Nanocomposites
          Hu, Wei and Wang, Tian and Yang, Jinlong
          arXiv preprint arXiv:1411.0357, 2014, 0
          //arxiv.org/abs/1411.0357
        105. Article: Monte Carlo Study of the Influence of Electron Beam Focusing to SEM Image Sharpness Measurement
          Ruan, Z and Zhang, P and Mao, SF and Li, HM and Ding, ZJ
          e-Journal of Surface Science and Nanotechnology, 2014, 12, 247--251, 0, The Surface Science Society of Japan
        106. Article: An Arbitrary Polynomial Chaos-Based Approach to Analyzing the Impacts of Design Parameters on Evacuation Time under Uncertainty
          Xie, Qimiao and Lu, SHOUXIANG and Cóstola, DANIEL and Hensen, J.
          Fire Safety Science, 2014, 11, 108--108, 0
          //www.iafss.org/publications/fss/11/108
        107. Article: RUNES II: A Distributed Rule Engine Based on Rete Network in Cloud Computing
          Zhou, Rui and Wang, Guowei and Wang, Jinghan and Li, Jing
          International Journal of Grid and Distributed Computing, 2014, 7, 91--110, 6, ?????????? (IJGDC)
        108. Article: Study on H+3 formation by synchrotron radiation
          Zhanga, Qiang and Caoa, Maoqi and Shana, Xiaobin and Lia, Yuquan and Wangb, Zhenya and Shenga, Liusi
          J. At. Mol. Sci., 2014, 5, 148, 2
        109. Article: A Distributed Rule Engine Based on Message-Passing Model to Deal with Big Data
          Wang, Jinghan and Zhou, Rui and Li, Jing and Wang, Guowei
          Lecture Notes on Software Engineering, 2014, 2, 275--281, 3, IACSIT Press
        110. Article: NHC-catalyzed homoenolate reaction of enals and nitroalkenes: computational study of mechanism, chemoselectivity and stereoselectivity
          Zhang, Qi and Yu, Hai-Zhu and Fu, Yao
          Organic Chemistry Frontiers, 2014, 1, 614--624, 6
          //pubs.rsc.org/en/content/articlepdf/2014/qo/cSCI4o00036f
        111. Article: Extended Mermin Method for Calculating the Electron Inelastic Mean Free Path
          Da, B and Shinotsuka, H and Yoshikawa, H and Ding, ZJ and Tanuma, S
          Physical Review Letters, 2014, 08, 0
        112. Article: 氫分子團簇的實驗和理論研究進展
          張強 and 曹茂啟 and 李玉全 and 單曉斌 and 劉付軼 and 盛六四 and 王振亞
          量子電子學報, 2014, 31, 513--519, 5

        2013年:124篇

        1. Article: Superatom Networks in Thiolate-Protected Gold Nanoparticles
          Cheng, Longjiu and Yuan, Yuan and Zhang, Xiuzhen and Yang, Jinlong
          Angewandte Chemie International Edition, 2013, 52, 9035--9039, 34, Wiley Online Library
        2. Article: Constraints of the topography, gravity and volcanism on Venusian mantle dynamics and generation of plate tectonics
          Huang, Jinshui and Yang, An and Zhong, Shijie
          Earth and Planetary Science Letters, 2013, 362, 207--214, 0, Elsevier
        3. Article: Metal-free catalytic reduction of 4-nitrophenol to 4-aminophenol by N-doped graphene
          Kong, Xiang-kai and Sun, Zhi-yuan and Chen, Min and Chen, Qian-wang and others
          Energy & Environmental Science, 2013, 6, 3260--3266, 11
          //pubs.rsc.org/en/content/articlehtml/2013/ee/c3ee40918j
        4. Article: Structure sensitivity of low-temperature NO decomposition on Au surfaces
          Wu, Zongfang and Xu, Lingshun and Zhang, Wenhua and Ma, Yunsheng and Yuan, Qing and Jin, Yuekang and Yang, Jinlong and Huang, Weixin
          Journal of Catalysis, 2013, 304, 112--122, 0, Elsevier
        5. Article: Oxygen reduction and transport on the La 1- x Sr x Co 1- y Fe y O 3- δ cathode in solid oxide fuel cells: a first-principles study
          Wang, Zhenbin and Peng, Ranran and Zhang, Wenhua and Wu, Xiaojun and Xia, Changrong and Lu, Yalin
          Journal of Materials Chemistry A, 2013, 1, 12932--12940, 41
          //pubs.rsc.org/en/content/articlehtml/2013/ta/c3ta11554b
        6. Article: Probing the influence of different oxygenated groups on graphene oxide's catalytic performance
          Kong, Xiang-kai and Chen, Qian-wang and Lun, Zheng-yan
          Journal of Materials Chemistry A, 2013, 2, 610--613, 3
          //pubs.rsc.org/en/content/articlehtml/2013/ta/c3ta13946h
        7. Article: A novel fluorescent probe for selective detection of thiols in acidic solutions and labeling of acidic organelles in live cells
          Song, Qin-Hua and Wu, Qing-Qing and Liu, Chang-Hui and Du, Xiao-Jiao and Guo, Qing-Xiang
          Journal of Materials Chemistry B, 2013, 1, 438--442, 4, Royal Society of Chemistry
        8. Article: Control of spin in a La (Mn, Zn) AsO alloy by carrier doping
          Li, Xingxing and Wu, Xiaojun and Yang, Jinlong
          Journal of Materials Chemistry C, 2013, 1, 7197--7201, 43
          //pubs.rsc.org/en/content/articlehtml/2013/tc/c3tc31514b
        9. Article: Ti-doped molybdenum-based perovskites as anodes for solid oxide fuel cells
          He, Beibei and Wang, Zhenbin and Zhao, Ling and Pan, Xin and Wu, Xiaojun and Xia, Changrong
          Journal of Power Sources, 2013, 241, 627--633, 0
          //www.sciencedirect.com/science/article/pii/S0378775313007684
        10. Article: Helium separation via porous silicene based ultimate membrane
          Hu, Wei and Wu, Xiaojun and Li, Zhenyu and Yang, Jinlong
          Nanoscale, 2013, 5, 9062--9066, 19
          //pubs.rsc.org/en/content/articlehtml/2013/nr/c3nr02326e
        11. Article: New insight into the electronic shell of Au 38 (SR) 24: a superatomic molecule
          Cheng, Longjiu and Ren, Changda and Zhang, Xiuzhen and Yang, Jinlong
          Nanoscale, 2013, 5, 1475--1478, 4, Royal Society of Chemistry
        12. Article: Critical scaling in thermal systems near the zero-temperature jamming transition
          Wang, Lijin and Xu, Ning
          Soft Matter, 2013, 9, 2475--2483, 8, Royal Society of Chemistry
        13. Article: First-principles investigation of dual substitutional impurity-induced electronic structural modulation of PbTe on cationic and anionic sites
          Wang, X. G. and Liu, J. and Peng, L. M.
          Acta Materialia, 2013, 61, 6428--6442, 17
          //www.sciencedirect.com/science/article/pii/S1359645413005235
        14. Article: Capture of H2S from binary gas mixture by imidazolium-based ionic liquids with nonfluorous anions: A theoretical study
          Chen, Jie-Jie and Li, Wen-Wei and Yu, Han-Qing and Li, Xue-Liang
          AIChE Journal, 2013, 59, 3824--3833, 10
          //onlinelibrary.wiley.com/doi/10.1002/aic.14111/full
        15. Article: Orbital-selective single molecule rectifier on graphene-covered Ru (0001) Surface
          Lei, Shulai and Feng, Wei and Li, Bin and Li, Qunxiang and Zhao, Aidi and Wang, Bing and Yang, Jinlong and Hou, JG
          Applied Physics Letters, 2013, 102, 163506, 16, AIP Publishing
        16. Article: Linear correlation between the C–H activation barrier and the C–Cu/C–H bond dissociation energy gap in Cu-promoted C–H activation of heteroarenes
          Lu, Qianqian and Yu, Haizhu and Fu, Yao
          Chemical Communications, 2013, 49, 10847--10849, 92
          //pubs.rsc.org/en/content/articlehtml/2013/cc/c3cc46069j
        17. Article: Conformation-specific dissociative photoionization of oxalyl chloride in the gas phase
          Chu, Genbai and Chen, Jun and Liu, Fuyi and Shan, Xiaobin and Han, Juguang and Sheng, Liusi
          Chemical Physics, 2013, 416, 26--32, 0
          //www.sciencedirect.com/science/article/pii/S0301010413001249
        18. Article: Highly Enantioselective Aldol Reactions between Acetaldehyde and Activated Acyclic Ketones Catalyzed by Chiral Primary Amines
          Deng, Yu-Hua and Chen, Jin-Quan and He, Long and Kang, Tai-Ran and Liu, Quan-Zhong and Luo, Shi-Wei and Yuan, Wei-Chen
          Chemistry-A European Journal, 2013, 19, 7143--7150, 22
          //onlinelibrary.wiley.com/doi/10.1002/chem.201300478/pdf
        19. Article: Mechanistic Study on Ligand-Controlled Cobalt-Catalyzed Regioselectivity-Switchable Hydroarylation of Styrenes
          Yang, Zhiwei and Yu, Haizhu and Fu, Yao
          Chemistry-A European Journal, 2013, 19, 12093--12103, 36
          //onlinelibrary.wiley.com/doi/10.1002/chem.201203666/full
        20. Article: Regioselectivity and Competition of the Paternò–Büchi Reaction and Triplet–Triplet Energy Transfer between Triplet Benzophenones and Pyrimidines: Control by Triplet Energy Levels
          Liu, Xiu-Ling and Wang, Jian-Bo and Tong, Yao and Song, Qin-Hua
          Chemistry-A European Journal, 2013, 19, 13216--13223, 39
          //onlinelibrary.wiley.com/doi/10.1002/chem.201300958/full
        21. Article: A novel ratiometric two-photon fluorescent probe for the detection of biothiols in solution and imaging of living cells.
          Wu, Qing-Qing and Xiao, Zu-Feng and Du, Xiao-Jiao and Song, Qin-Hua
          Chemistry-An Asian Journal, 2013, 8, 2564--2568, 11, Wiley Online Library
        22. Article: Mechanistic study of the rhodium-catalyzed [3+ 2+ 2] carbocyclization of alkenylidenecyclopropanes with alkynes.
          Yu, Haizhu and Lu, Qianqian and Dang, Zhimin and Fu, Yao
          Chemistry-An Asian Journal, 2013, 8, 2262--2273, 9
        23. Article: Computational study on mechanism of Rh (III)-catalyzed oxidative Heck coupling of phenol carbamates with alkenes
          Zhang, Qi and Yu, Hai-Zhu and Li, Yi-Tong and Liu, Lei and Huang, Yong and Fu, Yao
          Dalton Transactions, 2013, 42, 4175--4184, 12
          //pubs.rsc.org/en/content/articlehtml/2013/dt/c3dt31898b
        24. Article: Effect of Co doping on the electrochemical properties of Sr 2 Fe 1.5 Mo 0.5 O 6 electrode for solid oxide fuel cell
          Pan, Xin and Wang, Zhenbin and He, Beibei and Wang, Shaorong and Wu, Xiaojun and Xia, Changrong
          International Journal of Hydrogen Energy, 2013, 38, 4108--4115, 10, Elsevier
        25. Article: Mechanistic Study of Borylation of Nitriles Catalyzed by Rh--B and Ir--B Complexes via C--CN Bond Activation
          Jiang, Yuan-Ye and Yu, Hai-Zhu and Fu, Yao
          Organometallics, 2013, 32, 926--936, 3, ACS Publications
        26. Article: Mechanistic Study of Palladium-Catalyzed Chemoselective C (sp3)–H Activation of Carbamoyl Chloride
          Zhang, Qi and Yu, Hai-Zhu and Fu, Yao
          Organometallics, 2013, 32, 4165--4173, 15
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        27. Article: Bipolar magnetic materials for electrical manipulation of spin-polarization orientation
          Li, Xingxing and Yang, Jinlong
          Physical Chemistry Chemical Physics, 2013, 15, 15793--15801, 38
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        28. Article: Giant reduction of the phase transition temperature for beryllium doped VO2
          Zhang, Jiajia and He, Haiyan and Xie, Yi and Pan, Bicai
          Physical Chemistry Chemical Physics, 2013, 15, 4687--4690, 13
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        29. Article: Hydrogenated bilayer wurtzite SiC nanofilms: a two-dimensional bipolar magnetic semiconductor material
          Yuan, Long and Li, Zhenyu and Yang, Jinlong
          Physical Chemistry Chemical Physics, 2013, 15, 497--503, 2
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        30. Article: Improved performance of graphene doped with pyridinic N for Li-ion battery: a density functional theory model
          Kong, Xiang-kai and Chen, Qian-wang
          Physical Chemistry Chemical Physics, 2013, 15, 12982--12987, 31
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        31. Article: Porous silicene as a hydrogen purification membrane
          Hu, Wei and Wu, Xiaojun and Li, Zhenyu and Yang, Jinlong
          Physical Chemistry Chemical Physics, 2013, 15, 5753--5757, 16
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        32. Article: STM tip-assisted single molecule chemistry
          Zhao, Aidi and Tan, Shijing and Li, Bin and Wang, Bing and Yang, Jinlong and Hou, JG
          Physical Chemistry Chemical Physics, 2013, 15, 12428--12441, 30, Royal Society of Chemistry
        33. Article: Tailoring the band gap of ZnO/MgZnO coaxial nanowires by the size and the component of Mg
          Zhang, Y. G. and He, H. Y. and Pan, B. C.
          Physical Chemistry Chemical Physics, 2013, 15, 2932--2936, 8
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        34. Article: Coherent interference in the resonant dissociative electron attachment to carbon monoxide
          Tian, Shan Xi and Wu, Bin and Xia, Lei and Wang, Yong-Feng and Li, Hong-Kai and Zeng, Xian-Jin and Luo, Yi and Yang, Jinlong
          Physical Review A, 2013, 88, 012708, 1, APS
        35. Article: Orientation-sensitive nonlinear growth of graphene: An epitaxial growth mechanism determined by geometry
          Jiang, Huijun and Wu, Ping and Hou, Zhonghuai and Li, Zhenyu and Yang, Jinlong
          Physical Review B, 2013, 88, 054304, 5
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        36. Article: Prediction and optimization of the performance of parabolic solar dish concentrator with sphere receiver using analytical function
          Huang, Weidong and Huang, Farong and Hu, Peng and Chen, Zeshao
          Renewable Energy, 2013, 53, 18--26, 0
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        37. Article: Theoretical analysis of error transfer from surface slope to refractive ray and their application to the solar concentrated collector
          Huang, Weidong and Li, Yongping and Han, Zhengfu
          Renewable Energy, 2013, 57, 562--569, 0
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        38. Article: Facet-dependent electrochemical properties of Co3O4 nanocrystals toward heavy metal ions
          Yu, Xin-Yao and Meng, Qiang-Qiang and Luo, Tao and Jia, Yong and Sun, Bai and Li, Qun-Xiang and Liu, Jin-Huai and Huang, Xing-Jiu
          Scientific reports, 2013, 3, 0, Nature Publishing Group
        39. Article: Rocking-Chair Configuration in Ultrathin Lithium Vanadate-Graphene Hybrid Nanosheets for Electrical Modulation
          Zhu, Haiou and Qin, Xinming and Sun, Xu and Yan, Wensheng and Yang, Jinlong and Xie, Yi
          Scientific reports, 2013, 3, 0, Nature Publishing Group
        40. Article: Semihydrogenated BN Sheet: A Promising Visible-light Driven Photocatalyst for Water Splitting
          Li, Xingxing and Zhao, Jin and Yang, Jinlong
          Scientific reports, 2013, 3, 0
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        41. Article: Development and evaluation of several models for precise and fast calculations of shading and blocking in heliostats field
          Huang, Weidong and Li, Longlong and Li, Yongping and Han, Zhengfu
          Solar Energy, 2013, 95, 255--264, 0
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        42. Article: Gauss–Legendre integration of an analytical function to calculate the optical efficiency of a heliostat
          Huang, Weidong and Li, Huairui and Li, Longlong and Hu, Peng and Chen, Zeshao
          Solar Energy, 2013, 92, 7--14, 0
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        43. Article: Optical analysis and optimization of parabolic dish solar concentrator with a cavity receiver
          Li, Huairui and Huang, Weidong and Huang, Farong and Hu, Peng and Chen, Zeshao
          Solar Energy, 2013, 92, 288--297, 0
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        44. Article: A computational infrared spectroscopic study of graphene oxide
          Yin, Di and Lu, Ning and Li, Zhenyu and Yang, Jinlong
          The Journal of Chemical Physics, 2013, 139, 084704, 8
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        45. Article: A first-principles study of ZnO polar surface growth: Adsorption of Zn x O y clusters
          Wang, Zhunzhun and Pan, Nan and Li, Zhenyu and Yang, Jinlong
          The Journal of chemical physics, 2013, 139, 124704, 12
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        46. Article: Communication: New insight into electronic shells of metal clusters: Analogues of simple molecules
          Cheng, Longjiu and Yang, Jinlong
          The Journal of chemical physics, 2013, 138, 141101, 14, AIP Publishing
        47. Article: Diamond as an inert substrate of graphene
          Hu, Wei and Li, Zhenyu and Yang, Jinlong
          The Journal of chemical physics, 2013, 138, 054701, 5
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        48. Article: Electronic and optical properties of graphene and graphitic ZnO nanocomposite structures
          Hu, Wei and Li, Zhenyu and Yang, Jinlong
          The Journal of chemical physics, 2013, 138, 124706, 12
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        49. Article: Nondecaying long range effect of surface decoration on the charge state of NV center in diamond
          Hu, Wei and Li, Zhenyu and Yang, Jinlong and Hou, Jianguo
          The Journal of chemical physics, 2013, 138, 034702, 3
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        50. Article: Structural, electronic, and optical properties of hybrid silicene and graphene nanocomposite
          Hu, Wei and Li, Zhenyu and Yang, Jinlong
          The Journal of chemical physics, 2013, 139, 154704, 15
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        51. Article: Structure, stability, and electronic property of carbon-doped gold clusters AunC-(n= 1–10): A density functional theory study
          Yan, Li-Li and Liu, Yi-Rong and Huang, Teng and Jiang, Shuai and Wen, Hui and Gai, Yan-Bo and Zhang, Wei-Jun and Huang, Wei
          The Journal of chemical physics, 2013, 139, 244312, 24
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        52. Article: Theoretical prediction of new carbon allotropes
          Yang, L. and He, H. Y. and Pan, B. C.
          The Journal of chemical physics, 2013, 138, 024502, 2
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        53. Article: Computational insight on the working principles of zinc porphyrin dye-sensitized solar cells
          Ju, Ming-Gang and Liang, WanZhen
          The Journal of Physical Chemistry C, 2013, 117, 14899--14911, 29
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        54. Article: Electronic Stability of Phosphine-Protected Au20 Nanocluster: Superatomic Bonding
          Yuan, Yuan and Cheng, Longjiu and Yang, Jinlong
          The Journal of Physical Chemistry C, 2013, 117, 13276--13282, 25, ACS Publications
        55. Article: Organometallic Hexahapto-Functionalized Graphene: Band Gap Engineering with Minute Distortion to the Planar Structure
          Dai, Jun and Zhao, Yu and Wu, Xiaojun and Zeng, Xiao Cheng and Yang, Jinlong
          The Journal of Physical Chemistry C, 2013, 117, 22156--22161, 42, ACS Publications
        56. Article: Potential Dependence of Cyanide Adsorption at a Pt Electrode in Acidic Solution: An Electrochemical in Situ Infrared Spectroscopic Study
          Liu, Shao Xiong and Zheng, Yong Li and Xu, Jie and Cai, Jun and Zhang, Wen Hua and Yang, Jin Long and Chen, Yan Xia
          The Journal of Physical Chemistry C, 2013, 117, 15562--15570, 30, ACS Publications
        57. Article: Structural Stability of La2Ce2O7 as a Proton Conductor: A First-Principles Study
          Zhang, Qingping and Zheng, Xiao and Jiang, Jun and Liu, Wei
          The Journal of Physical Chemistry C, 2013, 117, 20379--20386, 40
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        58. Article: Thermodynamics of Ammonia and Ammonium Ion at the Aqueous Solution–Air Interfaces
          Fu, Cen-Feng and Tian, Shan Xi
          The Journal of Physical Chemistry C, 2013, 117, 13011--13020, 25
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        59. Article: Exploration of structures of two-dimensional boron--silicon compounds with sp2 silicon
          Dai, Jun and Zhao, Yu and Wu, Xiaojun and Yang, Jinlong and Zeng, Xiao Cheng
          The Journal of Physical Chemistry Letters, 2013, 4, 561--567, 4, ACS Publications
        60. Article: Unusual metallic microporous boron nitride networks
          Dai, Jun and Wu, Xiaojun and Yang, Jinlong and Zeng, Xiao Cheng
          The Journal of Physical Chemistry Letters, 2013, 4, 3484--3488, 20, ACS Publications
        61. Article: Enhanced Oxygen Reduction Reactions in Fuel Cells on H-Decorated and B-Substituted Graphene
          Kong, Xiangkai and Chen, Qianwang and Sun, Zhiyuan
          ChemPhysChem, 2013, 14, 514--519, 3
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        62. Article: Filter-matrix lattice Boltzmann simulation of lid-driven deep-cavity flows, Part II—Flow bifurcation
          Zhuo, Congshan and Zhong, Chengwen and Cao, Jun
          Computers & Mathematics with Applications, 2013, 65, 1883--1893, 12
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        63. Article: LES-based filter-matrix lattice Boltzmann model for simulating turbulent natural convection in a square cavity
          Zhuo, Congshan and Zhong, Chengwen
          International Journal of Heat and Fluid Flow, 2013, 42, 10--22, 0
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        64. Article: Experimental and theoretical studies of pyrolysis of chrysophanol and its derivatives
          Jia, Liangyuan and Yang, Jiuzhong and Zhang, Lidong and Zhang, Feng and Qi, Fei and Fan, Haiyan and Cai, Jibao
          Journal of Analytical and Applied Pyrolysis, 2013, 100, 237--244, 0
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        65. Article: A reverse Monte Carlo method for deriving optical constants of solids from reflection electron energy-loss spectroscopy spectra
          Da, B. and Sun, Y. and Mao, S. F. and Zhang, Z. M. and Jin, H. and Yoshikawa, H. and Tanuma, S. and Ding, Z. J.
          Journal of Applied Physics, 2013, 113, 214303, 21
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        66. Article: Carrier-tunable magnetism of graphene with single-atom vacancy
          Lei, Shulai and Li, Bin and Kan, Erjun and Huang, Jing and Li, Qunxiang and Yang, Jinlong
          Journal of Applied Physics, 2013, 113, 213709, 21
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        67. Article: Studies on the binding modes of Lassa nucleoprotein complexed with m7GpppG and dTTP by molecular dynamic simulations and free energy calculations
          Li, Liang and Li, Dan and Chen, Hang and Han, Ju-Guang
          Journal of Biomolecular Structure & Dynamics, 2013, 31, 299--315, 3
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        68. Article: VUV photoionization and dissociation of o-nitrotoluene: Experimental and theoretical insights
          Cao, Maoqi and Li, Yuquan and Chu, Genbai and Chen, Jun and Shan, Xiaobin and Liu, Fuyi and Wang, Zhenya and Sheng, Liusi
          Journal of Electron Spectroscopy and Related Phenomena, 2013, 191, 41--47, 0
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        69. Article: Tuning the Electronic Properties of N@ C60 Molecule: A Theoretical Study
          Huang, Jing and Li, Qunxiang and Yang, Jinlong
          Journal of nanoscience and nanotechnology, 2013, 13, 1053--1058, 2
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        70. Article: The behavior of oxygen in liquid lead–bismuth eutectic
          Li, Dongdong and Song, Chi and He, H. Y. and Liu, C. S. and Pan, B. C. and Wu, Y. C.
          Journal of Nuclear Materials, 2013, 437, 62--65, 1
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        71. Article: Diffusion and desorption of oxygen atoms on graphene
          Dai, Yafei and Ni, Shuang and Li, Zhenyu and Yang, Jinlong
          Journal of Physics: Condensed Matter, 2013, 25, 405301, 40
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        72. Article: Mechanism of arylboronic acid-catalyzed amidation reaction between carboxylic acids and amines
          Wang, Chen and Yu, Hai-Zhu and Fu, Yao and Guo, Qing-Xiang
          Organic & biomolecular chemistry, 2013, 11, 2140--2146, 13
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        73. Article: A new progressive algorithm for a multiple longest common subsequences problem and its efficient parallelization
          Yang, Jiaoyun and Xu, Yun and Sun, Guangzhong and Shang, Yi
          Parallel and Distributed Systems, IEEE Transactions on, 2013, 24, 862--870, 5, IEEE
        74. Article: Dynamical traffic light strategy in the Biham-Middleton-Levine model
          Xie, Jia-Rong and Jiang, Rui and Ding, Zhong-Jun and Li, Qi-Lang and Wang, Bing-Hong
          Physical Review E, 2013, 87, 022812, 2
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        75. Article: Vanadium sulfide nanoribbons: Electronic and magnetic properties
          Zhang, Yan and Wu, Xiaojun
          Physics Letters A, 2013, 377, 3154--3157, 43
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        76. Article: Large eddy simulation of flow development and noise generation of free and swirling jets
          Wan, Zhen-Hua and Zhou, Lin and Yang, Hai-Hua and Sun, De-Jun
          Physics of Fluids, 2013, 25, 126103, 12
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        77. Article: Structural dynamics of human telomeric G-quadruplex loops studied by molecular dynamics simulations
          Zhu, Hong and Xiao, Shiyan and Liang, Haojun
          PloS one, 2013, 8, 8
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        78. Article: A density functional study of phosphorus-doped gold clusters: Au n P-(n= 1–8)
          Xu, Kang-Ming and Huang, Teng and Wen, Hui and Liu, Yi-Rong and Gai, Yan-Bo and Zhang, Wei-Jun and Huang, Wei
          RSC Advances, 2013, 3, 24492--24502, 46
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        79. Article: The positive influence of boron-doped graphyne on surface enhanced Raman scattering with pyridine as the probe molecule and oxygen reduction reaction in fuel cells
          Kong, Xiang-kai and Chen, Qian-wang and Sun, Zhiyuan
          RSC Advances, 2013, 3, 4074--4080, 12
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        80. Article: Monte Carlo Simulation of CD-SEM Images for Linewidth and Critical Dimension Metrology
          Li, Y. G. and Zhang, P. and Ding, Z. J.
          Scanning, 2013, 35, 127--139, 2
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        81. Article: Mechanistic insights into N-or P-centered nucleophile promoted thiol–vinylsulfone Michael addition
          Wang, Chen and Qi, Chenze
          Tetrahedron, 2013, 69, 5348--5354, 26
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        82. Article: Experimental and theoretical investigations on the ferroelectricity of graphene oxides
          Xiangkai, Kong and Qianwang, Chen
          Acta Chimica Sinica, 2013, 71, 381--386, 3, SCIENCE PRESS 16 DONGHUANGCHENGGEN NORTH ST, BEIJING 100717, PEOPLES R CHINA
        83. Article: Enhanced SERS of the complex substrate using Au supported on graphene with pyridine and R6G as the probe molecules
          Kong, Xiang-kai and Chen, Qian-wang and Sun, Zhi-yuan
          Chemical Physics Letters, 2013, 564, 54--59, 0
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        84. Article: Spin-polarized transport properties of Mn@ Au 6 cluster
          Huang, Jing and Wang, Weiyi and Yang, Shangfeng and Li, Qunxiang and Yang, Jinlong
          Chemical Physics Letters, 2013, 590, 111--115, 0, Elsevier
        85. Article: DFT Study on Structural Distortion and Vibronic Coupling of Vanadyl Porphyrin Anion and Cation
          Gao, Hui-ling and Chen, Fang and Yao, Guo-hua and Chen, Dong-ming
          Chinese Journal of Chemical Physics, 2013, 26, 504--511, 5, Chinese Physical Society
        86. Article: Vibrational Spectra and Density Functional Theory Calculations of Metallotriphenylcorroles
          Gao, Hui-ling and Chen, Fang and Wang, Chun-lei and Wang, Guo-bing and Chen, Dong-ming
          Chinese Journal of Chemical Physics, 2013, 26, 398--408, 4, Chinese Physical Society
        87. Article: Accurate Prediction of Au? P Bond Strengths by Density Functional Theory Methods
          Yu, Haizhu and Liu, Dingjia and Dang, Zhimin and Wang, Dongrui and Fu, Yao
          Chinese Journal of Chemistry, 2013, 31, 200--208, 2
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        88. Article: A First-Principles Investigation of the Carrier Doping Effect on the Magnetic Properties of Defective Graphene
          Shu-Lai, Lei and Bin, Li and Jing, Huang and Qun-Xiang, Li and Jin-Long, Yang
          Chinese Physics Letters, 2013, 30, 077502, 7
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        89. Article: Surface and size effects on the charge state of NV center in nanodiamonds
          Hu, Wei and Li, Zhenyu and Yang, Jinlong
          Computational and Theoretical Chemistry, 2013, 1021, 49--53, 0
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        90. Article: Theoretical study on $eta$-H elimination in Heck reactions of heterocyclic substrates
          Tang, Shi-Ya and Zhang, Jie and Fu, Yao
          Computational and Theoretical Chemistry, 2013, 1007, 31--40, 0, Elsevier
        91. Article: Computational Fluid Dynamics Simulation of Flows in an Oxidation Ditch Driven by a New Surface Aerator
          Huang, Weidong and Li, Kun and Wang, Gan and Wang, Yingzhe
          Environmental engineering science, 2013, 30, 663--671, 11, Mary Ann Liebert, Inc. 140 Huguenot Street, 3rd Floor New Rochelle, NY 10801 USA
        92. Article: A computational investigation on the geometries, stabilities, antioxidant activity, and the substituent effects of the L-ascorbic acid and their derivatives
          Zhao, Run-Ning and Yuan, Yanhong and Liu, Fuyi and Han, Ju-Guang and Sheng, LiuSi
          International Journal of Quantum Chemistry, 2013, 113, 2220--2227, 19
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        93. Article: Scanning tunneling microscopy and density functional theory combined studies of rutile TiO2 (1 1 0) surface chemistry: Watch surface processes at the atomic scale
          Zhang, Wenhua and Li, Zhenyu and Wang, Bing and Yang, Jinlong
          International Journal of Quantum Chemistry, 2013, 113, 89--95, 2, Wiley Online Library
        94. Article: Treatment of evacuation time uncertainty using polynomial chaos expansion
          Xie, Qimiao and Lu, Shouxiang and Kong, Depeng and Wang, Jinhui
          Journal of Fire Protection Engineering, 2013, 23, 31--49, 1
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        95. Article: Method for a quick estimation of energy dependent reflection electron energy loss spectroscopy spectra for Al and Si
          Tang, T and Zhang, ZM and Da, B and Gong, JB and Goto, K and Ding, ZJ
          Physica B: Condensed Matter, 2013, 423, 64--68, 0, Elsevier
        96. Article: Charging Effect in Plasma Etching Mask of Hole Array
          Peng, Zhang and Jun, Wang and Yang, Sun and Zejun, Ding
          Plasma Science & Technology, 2013, 15, 570, 6, IOP Publishing
        97. Article: Mechanistic study of copper-catalyzed intramolecular ortho-CH activation/carbon-nitrogen and carbon-oxygen cyclizations
          Tang, ShiYa and Gong, TianJun and Fu, Yao
          Science China Chemistry, 2013, 56, 619--632, 5, Springer
        98. Article: Systematic calculation of the surface excitation parameters for 22 materials
          Da, B. and Sun, Y. and Mao, S. F. and Ding, Z. J.
          Surface and Interface Analysis, 2013, 45, 773--780, 3
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        99. Article: Calculation of the emission depth distribution function for electrons emitted from a crystal by the Bloch wave method
          Zeng, R. G. and Ding, Z. J.
          Surface Science, 2013, 608, 102--108, 0
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        100. Article: 實驗和理論研究石墨烯氧化物的鐵電性
          Xiangkai, Kong and Qianwang, Chen and others
          化學學報, 2013, 71, 381--386, 3
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        101. Article: 耗散粒子動力學研究雙層膜線張力與抗彎剛度的關系
          Liu, Yuan and Liang, Hao-jun and others
          高分子學報, 2013, 570--575, 4
        102. InProceedings: A Density Based Performance Prediction Model for Cloud Services
          Xu, Lin and Zhang, Song and Li, Jing
          Cloud Computing and Big Data (CloudCom-Asia), 2013 International Conference on, 2013, 92--99, 0, IEEE
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        103. InProceedings: A Framework for Template Driven Automatic Generated Platforms
          Hu, Shu and Li, Jing and Song, Hu
          Advanced Materials Research, 2013, 756, 3904--3908, 0, Trans Tech Publ
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        104. InProceedings: A Knowledge-Based Development Approach with Fact and Service for End-User in Cloud Computing
          Zhou, Rui and Li, Jing and Wang, Jinghan and Wang, Guowei
          Computer Software and Applications Conference Workshops (COMPSACW), 2013 IEEE 37th Annual, 2013, 277--282, 0, IEEE
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        105. InProceedings: Batch job based auto-scaling system on cloud computing platform
          Guo, Yuan Yuan and Li, Jing and Liu, Xin Chun and Wang, Wei Wei
          Advanced Materials Research, 2013, 756, 2386--2390, 0, Trans Tech Publ
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        106. Article: DFT Study on Mechanism of Ruthenium-catalyzed meta Sulfonation
          Dingjia, Liu and Haizhu, Yu and Yao, Fu and others
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          Yin, Hongjun and Li, Jing and Niu, Yue
          Information, Communications and Signal Processing (ICICS) 2013 9th International Conference on, 2013, 1--6, 0, IEEE
        108. InProceedings: Monte Carlo simulation of realistic beam-sample interaction in SEM: application to evaluation of sharpness measurement methods
          Ruan, Z. and Mao, S. F. and Zhang, P. and Li, H. M. and Ding, Z. J.
          SPIE Defense, Security, and Sensing, 2013, 87290J--87290J, 0, International Society for Optics and Photonics
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        109. InProceedings: Monte Carlo simulation of x-ray photoemission electron microscopic image
          Zhang, Z. M. and Tang, T. and Mao, S. F. and Ding, Z. J.
          SPIE Defense, Security, and Sensing, 2013, 87290L--87290L, 0, International Society for Optics and Photonics
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        110. InProceedings: Monte Carlo study of the influence of electron beam focusing to SEM linewidth measurement
          Zhang, P. and Mao, S. F. and Zhang, Z. M. and Ding, Z. J.
          SPIE Defense, Security, and Sensing, 2013, 87290K--87290K, 0, International Society for Optics and Photonics
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        111. Article: Surface optical properties for copper based on surface Kramers-Kroning analysis
          Tang, T and Zhang, ZM and THok'esi, K and Goto, K and Ding, ZJ
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        112. Article: Numerical method to calculate Gini coefficient from limited data of subgroups
          Huang, Weidong
          Applied Economics Letters, 2013, 20, 1249--1253, 13
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        113. Article: MMSD: a Metadata-Aware Multi-Tiered Source Deduplication Cloud Backup System in the Personal Computing Environment
          Meng, Haiyan and Li, Jing and Liu, Weiqing and Zhang, Changchun
          International Review on Computers and Software (IRECOS), 2013, 8, 542--550, 2, Praise Worthy Prize
        114. Article: Hydrogen-Incorporated TiS2 Ultrathin Nanosheets with Ultrahigh Conductivity for Stamp-Transferrable Electrodes
          Lin, Chenwen and Zhu, Xiaojiao and Feng, Jun and Wu, Changzheng and Hu, Shuanglin and Peng, Jing and Guo, Yuqiao and Peng, Lele and Zhao, Jiyin and Huang, Jianliu and others
          Journal of the American Chemical Society, 2013, 04, 0
        115. Article: Surface Facet of Palladium Nanocrystals: A Key Parameter to the Activation of Molecular Oxygen for Organic Catalysis and Cancer Treatment
          Long, Ran and Mao, Keke and Ye, Xiaodong and Yan, Wensheng and Huang, Yaobing and Wang, Jianyong and Fu, Yao and Wang, Xisheng and Wu, Xiaojun and Xie, Yi and others
          Journal of the American Chemical Society, 2013, 02, 0
        116. Article: Surface structure-dependent molecular oxygen activation of BiOCl single-crystalline nanosheets
          Zhao, Kun and Zhang, Lizhi and Wang, Jiajun and Li, Qunxiang and He, Weiwei and Yin, Jun Jie
          Journal of the American Chemical Society, 2013, 00, 0
        117. Article: Chemical mapping of a single molecule by plasmon-enhanced Raman scattering
          Zhang, R and Zhang, Y and Dong, ZC and Jiang, S and Zhang, C and Chen, LG and Zhang, L and Liao, Y and Aizpurua, J and Luo, Y ea and others
          Nature, 2013, 06, 0
        118. Article: Facile Synthesis of Pentacle Au-Cu Alloy Nanocrystals and their Plasmonic and Catalytic Properties
          He, Rong and Wang, You-Cheng and Wang, Xiaoyong and Wang, Zhantong and Liu, Gang and Zhou, Wei and Wen, Longping and Li, Qunxiang and Wang, Xiaoping and Chen, Xiaoyuan and others
          Nature Communication, 2013, 00, 0
        119. Article: Role of point defects on the reactivity of reconstructed anatase titanium dioxide (001) surface
          Wang, Yang and Sun, Huijuan and Tan, Shijing and Feng, Hao and Cheng, Zhengwang and Zhao, Jin and Zhao, Aidi and Wang, Bing and Luo, Yi and Yang, Jinlong and others
          Nature Communications, 2013, 07, 0
        120. Article: MRT-LBM simulation of four-lid-driven cavity flow bifurcation
          Zhuo, Congshan and Zhong, Chengwen and Guo, Xixiong and Cao, Jun
          Procedia Engineering, 2013, 61, 100--107, 0, Elsevier
        121. Article: Mode decomposition of a noise suppressed mixing layer
          Wan, Zhenhua and Yang, Haihua and Zhou, Lin and Sun, Dejun
          Theoretical and Applied Mechanics Letters, 2013, 3, 042007, 4
          //scitation.aip.org/content/cstam/journal/taml/3/4/10.1063/2.1304207
        122. Article: 矩陣環上快速公鑰密碼算法的安全分析
          古春生 and 吳訪升 and 景征駿 and 于志敏
          山東大學學報 (理學版), 2013, 48, 22--28, 9, 萬方數據資源系統
        123. Article: 破解 HFEM 公鑰密碼方案
          古春生
          通信學報, 2013, 34, 85--89, 3
        124. Article: 破解新型的輕量級數字簽名方案
          古春生
          通信學報, 2013, 34, 154--158, 7

        2012年:84篇

        1. Article: Band-gap engineering via tailored line defects in boron-nitride nanoribbons, sheets, and nanotubes
          Li, Xiuling and Wu, Xiaojun and Zeng, Xiao Cheng and Yang, Jinlong
          Acs Nano, 2012, 6, 4104--4112, 5
          //pubs.acs.org/doi/abs/10.1021/nn300495t
        2. Article: Macroscopic multifunctional graphene-based hydrogels and aerogels by a metal ion induced self-assembly process
          Cong, Huai-Ping and Ren, Xiao-Chen and Wang, Ping and Yu, Shu-Hong
          Acs Nano, 2012, 6, 2693--2703, 3
          //pubs.acs.org/doi/abs/10.1021/nn300082k
        3. Article: Improving biogas separation and methane storage with multilayer graphene nanostructure via layer spacing optimization and lithium doping: a molecular simulation investigation
          Chen, Jie-Jie and Li, Wen-Wei and Li, Xue-Liang and Yu, Han-Qing
          Environmental science & technology, 2012, 46, 10341--10348, 18
          //pubs.acs.org/doi/abs/10.1021/es301774g
        4. Article: Manipulation of microbial extracellular electron transfer by changing molecular structure of phenazine-type redox mediators
          Chen, Jie-Jie and Chen, Wei and He, Hui and Li, Dao-Bo and Li, Wen-Wei and Xiong, Lu and Yu, Han-Qing
          Environmental science & technology, 2012, 47, 1033--1039, 2
          //pubs.acs.org/doi/abs/10.1021/es304189t
        5. Article: The positive influence of boron-doped graphene with pyridine as a probe molecule on SERS: a density functional theory study
          Kong, Xiangkai and Chen, Qianwang
          Journal of Materials Chemistry, 2012, 22, 15336--15341, 30
          //pubs.rsc.org/en/content/articlehtml/2012/jm/c2jm32050a
        6. Article: Lattice mismatch induced nonlinear growth of graphene
          Wu, Ping and Jiang, Huijun and Zhang, Wenhua and Li, Zhenyu and Hou, Zhonghuai and Yang, Jinlong
          Journal of the American Chemical Society, 2012, 134, 6045--6051, 13
          //pubs.acs.org/doi/abs/10.1021/ja301791x
        7. Article: ELECTRONIC, MAGNETIC, AND MECHANICAL PROPERTIES OF LINE-DEFECT EMBEDDED GRAPHENE NANORIBBONS: A FIRST-PRINCIPLES STUDY
          GUAN, ZHAOYONG and WU, XIAOJUN and LI, QUNXIANG
          Nano LIFE, 2012, 2, 1240003, 2
          //www.worldscientific.com/doi/abs/10.1142/S1793984411000487
        8. Article: A first-principles prediction of two-dimensional superconductivity in pristine B 2 C single layers
          Dai, Jun and Li, Zhenyu and Yang, Jinlong and Hou, Jianguo
          Nanoscale, 2012, 4, 3032--3035, 10
          //pubs.rsc.org/en/content/articlehtml/2012/nr/c2nr12018f
        9. Article: Bipolar magnetic semiconductors: a new class of spintronics materials
          Li, Xingxing and Wu, Xiaojun and Li, Zhenyu and Yang, Jinlong and Hou, J. G.
          Nanoscale, 2012, 4, 5680--5685, 18
          //pubs.rsc.org/en/content/articlehtml/2012/nr/c2nr31743e
        10. Article: Oxygen molecule dissociation on carbon nanostructures with different types of nitrogen doping
          Ni, Shuang and Li, Zhenyu and Yang, Jinlong
          Nanoscale, 2012, 4, 1184--1189, 4
          //pubs.rsc.org/en/content/articlehtml/2012/nr/c1nr11086a
        11. Article: Interlayer shear effect on multilayer graphene subjected to bending
          Shen, YongKuan and Wu, HengAn
          Applied Physics Letters, 2012, 100, 101909, 10, AIP Publishing
        12. Article: Solution structure of the Pdp1 PWWP domain reveals its unique binding sites for methylated H4K20 and DNA
          Yu, Qiu and Wen, Zhang and Chen, Zhao and Yan, Wang and Weiwei, Wang and Jiahai, Zhang and Zhiyong, Zhang and Guohong, Li and Yunyu, Shi and Xiaoming, TU and others
          Biochemical Journal, 2012, 442, 527--538, 3, Portland Press Ltd.
        13. Article: In situ controllable synthesis platinum nanocrystals on TiO 2 by novel polyol-process combined with light induced photocatalysis oxidation
          Jiang, Zhi and Guo, Hongyan and Jiang, Zheng and Chen, Guosheng and Xia, Longfei and Shangguan, Wenfeng and Wu, Xiaojun
          Chemical Communications, 2012, 48, 9598--9600, 77
          //pubs.rsc.org/en/content/articlehtml/2012/cc/c2cc34437h
        14. Article: Mechanistic Origin of Cross-Coupling Selectivity in Ni-Catalysed Tishchenko Reactions
          Yu, Haizhu and Fu, Yao
          Chemistry-A European Journal, 2012, 18, 16765--16773, 52, Wiley Online Library
        15. Article: Thermodynamics and Conformations in the Formation of Excited States and Their Interconversions for Twisted Donor-Substituted Tridurylboranes
          Mao, Mao and Ren, Ming-Guang and Song, Qin-Hua
          Chemistry-A European Journal, 2012, 18, 15512--15522, 48
          //onlinelibrary.wiley.com/doi/10.1002/chem.201201719/full
        16. Article: Solving extra-high-order Rubik?s Cube problem by a dynamic simulated annealing
          Chen, Xi and Ding, Z. J.
          Computer Physics Communications, 2012, 183, 1658--1663, 8
          //www.sciencedirect.com/science/article/pii/S0010465512001087
        17. Article: Temperature-accelerated sampling and amplified collective motion with adiabatic reweighting to obtain canonical distributions and ensemble averages
          Hu, Yue and Hong, Wei and Shi, Yunyu and Liu, Haiyan
          Journal of Chemical Theory and Computation, 2012, 8, 3777--3792, 10, ACS Publications
        18. Article: Time-Dependent Approach to Resonance Raman Spectra Including Duschinsky Rotation and Herzberg–Teller Effects: Formalism and Its Realistic Applications
          Ma, Huili and Liu, Jie and Liang, WanZhen
          Journal of Chemical Theory and Computation, 2012, 8, 4474--4482, 11
          //pubs.acs.org/doi/abs/10.1021/ct300640c
        19. Article: Efficient spin filter based on FeN4 complexes between carbon nanotube electrodes
          Huang, Jing and Wang, Weiyi and Yang, Shangfeng and Li, Qunxiang and Yang, Jinlong
          Nanotechnology, 2012, 23, 255202, 25
          //iopscience.iop.org/0957-4484/23/25/255202
        20. Article: Carbon dioxide capture by aminoalkyl imidazolium-based ionic liquid: a computational investigation
          Chen, Jie-Jie and Li, Wen-Wei and Li, Xue-Liang and Yu, Han-Qing
          Physical Chemistry Chemical Physics, 2012, 14, 4589--4596, 13
          //pubs.rsc.org/en/content/articlehtml/2012/cp/c2cp23642g
        21. Article: Diamondization of chemically functionalized graphene and graphene–BN bilayers
          Yuan, Long and Li, Zhenyu and Yang, Jinlong and Hou, Jian Guo
          Physical Chemistry Chemical Physics, 2012, 14, 8179--8184, 22
          //pubs.rsc.org/en/content/articlehtml/2012/cp/c2cp40635g
        22. Article: The positive influence of boron-doped graphene for its supported Au clusters: enhancement of SERS and oxygen molecule adsorption
          Kong, Xiangkai and Sun, Zhiyuan and Chen, Qianwang
          Physical Chemistry Chemical Physics, 2012, 14, 13564--13568, 39
          //pubs.rsc.org/en/content/articlehtml/2012/cp/c2cp42297b
        23. Article: Direct observation of a positive spin polarization at the (111) surface of magnetite
          Pratt, A and Kurahashi, M and Sun, X and Gilks, D and Yamauchi, Y
          Physical Review B, 2012, 85, 180409, 18, APS
        24. Article: Constraints on primordial gravitational waves with variable sound speed from current CMB data
          Cheng, Cheng and Huang, Qing-Guo and Li, Xiao-Dong and Ma, Yin-Zhe
          Physical Review D, 2012, 86, 123512, 12
          //journals.aps.org/prd/abstract/10.1103/PhysRevD.86.123512
        25. Article: Cosmological Interpretations of Consistency Relation of Inflation Models with Current CMB Data
          Cheng, Cheng and Li, Xiao-Dong and Huang, Qing-Guo and Ma, Yin-Zhe
          Physical Review D, 2012, 86, 123512, 0
          //inspirehep.net/record/1123846/
        26. Article: Effects of surface structure and Ag–Sb nanodots on electronic properties of PbTe (100) facets from first-principles calculations
          Wang, Xiaoguang and Liu, Jing and Peng, Liangming
          Scripta Materialia, 2012, 67, 17--20, 1
          //www.sciencedirect.com/science/article/pii/S135964621200173X
        27. Article: Performance simulation of a parabolic trough solar collector
          Huang, Weidong and Hu, Peng and Chen, Zeshao
          Solar Energy, 2012, 86, 746--755, 2
          //www.sciencedirect.com/science/article/pii/S0038092X11004294
        28. Article: Theoretical analysis of error transfer from the surface slope to the reflected ray and their application in the solar concentrated collector
          Huang, Weidong and Han, Zhengfu
          Solar Energy, 2012, 86, 2592--2599, 9
          //www.sciencedirect.com/science/article/pii/S0038092X12002071
        29. Article: Highly selective adsorption of methanol in carbon nanotubes immersed in methanol-water solution
          Zhao, Wen-Hui and Shang, Bo and Du, Sheng-Ping and Yuan, Lan-Feng and Yang, Jinlong and Zeng, Xiao Cheng
          The Journal of Chemical Physics, 2012, 137, 034501, 3
          //scitation.aip.org/content/aip/journal/jcp/137/3/10.1063/1.4732313
        30. Article: Iron-phthalocyanine molecular junction with high spin filter efficiency and negative differential resistance
          Huang, Jing and Xu, Ke and Lei, Shulai and Su, Haibin and Yang, Shangfeng and Li, Qunxiang and Yang, Jinlong
          The Journal of chemical physics, 2012, 136, 064707, 6, AIP Publishing
        31. Article: A theoretical study on the structural and energy spectral properties of Ce3+ ions doped in various fluoride compounds
          Wen, Jun and Ning, Lixin and Duan, Chang-Kui and Chen, Yonghu and Zhang, Yongfan and Yin, Min
          The Journal of Physical Chemistry C, 2012, 116, 20513--20521, 38
          //pubs.acs.org/doi/abs/10.1021/jp306357d
        32. Article: Electronic structure and spin polarization of metal (Mn, Fe, Cu) phthalocyanines on an Fe (100) surface by first-principles calculations
          Sun, X and Wang, B and Yamauchi, Y
          The Journal of Physical Chemistry C, 2012, 116, 18752--18758, 35, ACS Publications
        33. Article: Linear band-gap modulation of graphane nanoribbons under uniaxial elastic strain: a density functional theory study
          Zhang, Yan and Wu, Xiaojun and Li, Qunxiang and Yang, Jinlong
          The Journal of Physical Chemistry C, 2012, 116, 9356--9359, 16
          //pubs.acs.org/doi/abs/10.1021/jp301691z
        34. Article: Spin splitting in a nickel phthalocyanine molecule on an Fe (100) surface by first-principles calculations
          Sun, X and Wang, B and Yamauchi, Y
          The Journal of Physical Chemistry C, 2012, 116, 10976--10981, 20, ACS Publications
        35. Article: Structural features and electronic properties of MgO nanosheets and nanobelts
          Zhang, Y. G. and He, H. Y. and Pan, B. C.
          The Journal of Physical Chemistry C, 2012, 116, 23130--23135, 43
          //pubs.acs.org/doi/abs/10.1021/jp3077062
        36. Article: Tunable magnetism in a nonmetal-substituted ZnO Monolayer: a first-principles study
          Guo, Hongyan and Zhao, Yu and Lu, Ning and Kan, Erjun and Zeng, Xiao Cheng and Wu, Xiaojun and Yang, Jinlong
          The Journal of Physical Chemistry C, 2012, 116, 11336--11342, 20
          //pubs.acs.org/doi/abs/10.1021/jp2125069
        37. Article: Why the band gap of graphene is tunable on hexagonal boron nitride
          Kan, Erjun and Ren, Hao and Wu, Fang and Li, Zhenyu and Lu, Ruifeng and Xiao, Chuanyun and Deng, Kaiming and Yang, Jinlong
          The Journal of Physical Chemistry C, 2012, 116, 3142--3146, 4
          //pubs.acs.org/doi/abs/10.1021/jp2106988
        38. Article: High-Pressure Phase Favored by a Symmetry-Recognized Nanoconfinement Effect
          Wang, Shengnan and Yin, Di and Li, Zhenyu and Yang, Jinlong
          The Journal of Physical Chemistry Letters, 2012, 3, 2154--2158, 16
          //pubs.acs.org/doi/abs/10.1021/jz3007047
        39. Article: Substituent effect on the π linkers in triphenylamine dyes for sensitized solar cells: a DFT/TDDFT study
          Xu, Jie and Zhu, Ligen and Fang, Dong and Chen, Biao and Liu, Li and Wang, Luoxin and Xu, Weilin
          ChemPhysChem, 2012, 13, 3320--3329, 14
          //onlinelibrary.wiley.com/doi/10.1002/cphc.201200273/full
        40. Article: Theoretical Investigation on SERS of Pyridine Adsorbed on Cn Clusters Induced by Charge Transfer: A Hint that SERS Could be Applied on Many Materials
          Kong, Xiangkai and Chen, Qianwang and Li, Ran and Cheng, Kai and Yan, Nan and Chen, Jian and Zhou, Yumei
          ChemPhysChem, 2012, 13, 1449--1453, 6
          //onlinelibrary.wiley.com/doi/10.1002/cphc.201200058/full
        41. Article: Low-frequency waves in magnetic reconnection
          Chai, LiHui and Li, Yi and Wang, Shui and Shen, Chao
          Chinese Science Bulletin, 2012, 57, 1461--1466, 12, Springer
        42. Article: Effect of violating the traffic light rule in the Biham-Middleton-Levine traffic flow model
          Ding, Zhong-Jun and Jiang, Rui and Li, Ming and Li, Qi-Lang and Wang, Bing-Hong
          Europhysics Letters, 2012, 99, 68002, 6
          //iopscience.iop.org/0295-5075/99/6/68002
        43. Article: Energy-level alignment at the Alq3/Fe3O4 (001) interface
          Pratt, A and Dunne, L and Sun, X and Kurahashi, M and Yamauchi, Y
          Journal of Applied Physics, 2012, 111, 07C114, 7, AIP Publishing
        44. Article: Monte Carlo modeling of surface excitation in reflection electron energy loss spectroscopy spectrum for rough surfaces
          Da, B. and Mao, S. F. and Zhang, G. H. and Wang, X. P. and Ding, Z. J.
          Journal of Applied Physics, 2012, 112, 034310, 3
          //scitation.aip.org/content/aip/journal/jap/112/3/10.1063/1.4739491
        45. Article: Identification and structural basis for a novel interaction between Vav2 and Arap3
          Wu, Bo and Wang, Fengsong and Zhang, Jiahai and Zhang, Zhiyong and Qin, Liying and Peng, Junhui and Li, Fudong and Liu, Jianping and Lu, Guowei and Gong, Qingguo and others
          Journal of structural biology, 2012, 180, 84--95, 1, Elsevier
        46. Article: Specific recognition of phosphorylated tail of H2AX by the tandem BRCT domains of MCPH1 revealed by complex structure
          Shao, Zhenhua and Li, Fudong and Sy, Shirley M-H and Yan, Wei and Zhang, Zhiyong and Gong, Deshun and Wen, Bin and Huen, Michael SY and Gong, Qingguo and Wu, Jihui and others
          Journal of structural biology, 2012, 177, 459--468, 2, Elsevier
        47. Article: Weakening interaction suppresses spontaneous symmetry breaking in two-channel asymmetric exclusion processes
          Zhu, Kai-Xuan and Wang, Nian and Hao, Qing-Yi and Liu, Qi-Yi and Jiang, Rui
          Physical Review E, 2012, 85, 041132, 4, APS
        48. Article: Monte Carlo simulation of secondary electron images for real sample structures in scanning electron microscopy
          Zhang, P. and Wang, H. Y. and Li, Y. G. and Mao, S. F. and Ding, Z. J.
          Scanning, 2012, 34, 145--150, 3
          //onlinelibrary.wiley.com/doi/10.1002/sca.20288/full
        49. Article: Probing ligand-binding modes and binding mechanisms of benzoxazole-based amide inhibitors with soluble epoxide hydrolase by molecular docking and molecular dynamics simulation
          Chen, Hang and Zhang, Ying and Li, Liang and Han, Ju-Guang
          The Journal of Physical Chemistry B, 2012, 116, 10219--10233, 34
          //pubs.acs.org/doi/abs/10.1021/jp304736e
        50. Article: Geometries, electronic and magnetic properties of hafnium clusters: A density functional calculation
          Zhao, Run-Ning and Han, Ju-Guang and Sheng, Liu-Si
          Thin Solid Films, 2012, 520, 2178--2183, 6
          //www.sciencedirect.com/science/article/pii/S0040609011018852
        51. Article: Origin of the Giant Negative Thermal Expansion in
          Qu, B. Y. and He, H. Y. and Pan, B. C.
          Advances in Condensed Matter Physics, 2012, 2012, 0
          //www.hindawi.com/journals/acmp/2012/913168/abs/
        52. Article: A theoretical study of spin-polarized transport properties of planar four-coordinate Fe complexes
          Huang, Jing and Wang, Weiyi and Yang, Shangfeng and Su, Haibin and Li, Qunxiang and Yang, Jinlong
          Chemical Physics Letters, 2012, 539, 102--106, 0
          //www.sciencedirect.com/science/article/pii/S000926141200560X
        53. Article: Transport spin polarization of magnetic C 28 molecular junctions
          Xu, Ke and Huang, Jing and Guan, Zhaoyong and Li, Qunxiang and Yang, Jinlong
          Chemical Physics Letters, 2012, 535, 111--115, 0
          //www.sciencedirect.com/science/article/pii/S0009261412003922
        54. Article: Absorption and structural property of ethanol/water mixture with carbon nanotubes
          Du, Sheng-ping and Zhao, Wen-hui and Yuan, Lan-feng
          Chinese Journal of Chemical Physics, 2012, 25, 487--493, 4
          //scitation.aip.org/content/cps/journal/cjcp/25/4/10.1088/1674-0068/25/04/487-493
        55. Article: Density Functional Theory Investigation of Structures and Electronic Spectra of N-protonated Corroles
          Gao, Hui-ling and Yao, Guo-hua and Chen, Fang and Wang, Wen-lou and Chen, Dong-ming
          Chinese Journal of Chemical Physics, 2012, 25, 281--290, 3
          //scitation.aip.org/content/cps/journal/cjcp/25/3/10.1088/1674-0068/25/03/281-290
        56. Article: First-principles Study of Adsorption and Dissociation of Methanol on the Pt (100) Surface
          Wang, Zhuo and Kan, Er-jun and Yang, Jin-long
          Chinese Journal of Chemical Physics, 2012, 25, 199--203, 2
          //scitation.aip.org/content/cps/journal/cjcp/25/2/10.1088/1674-0068/25/02/199-203
        57. Article: First-principles Study of Geometric and Electronic Structures of Si (111)-√ 7$ extbackslashtimes$√ 3-In Surface Reconstruction
          Shang, Bo and Yuan, Lan-feng and Yang, Jin-long
          Chinese Journal of Chemical Physics, 2012, 25, 403--408, 4
          //scitation.aip.org/content/cps/journal/cjcp/25/4/10.1088/1674-0068/25/04/403-408
        58. Article: Graphdiyne as hydrogen purification membrane
          Zhao, Wen-hui and Yuan, Lan-feng and Yang, Jin-long
          Chinese Journal of Chemical Physics, 2012, 25, 434--440, 4
          //scitation.aip.org/content/cps/journal/cjcp/25/4/10.1088/1674-0068/25/04/434-440
        59. Article: First-principles study of the local structure and crystal field of Yb2+ in sodium and potassium halides
          Jun, Wen and Chang-Kui, Duan and Min, Yin and Orlovskii, Yu V and Shang-Da, Xia and Yong-Fan, Zhang
          Chinese Physics B, 2012, 21, 037102, 3, IOP Publishing
        60. Article: Multiple Modes of Filament Flapping in a Uniform Flow
          Hao-Tian, Gao and Feng-Hua, Qin and Wei-Xi, Huang and De-Jun, Sun
          Chinese Physics Letters, 2012, 29, 094702, 9, IOP Publishing
        61. Article: Origin of regioselectivity of Ni-catalyzed N-butenyl-substituted imidazolium salt annulation reaction: A theoretical study
          Wang, Chen and Li, Fang and Qi, Chenze
          Computational and Theoretical Chemistry, 2012, 986, 71--78, 0
          //www.sciencedirect.com/science/article/pii/S2210271X12000904
        62. Article: A Parallel NURBS-based Isogeometric Analysis Framework on Multi-core CPUs
          (顧乃杰)
          Journal of Computational Information Systems, 2012, 0
        63. Article: The impact of Trichoderma reesei Cel7A carbohydrate binding domain mutations on its binding to a cellulose surface: a molecular dynamics free energy study
          Li, Tong and Yan, Shihai and Yao, Lishan
          Journal of molecular modeling, 2012, 18, 1355--1364, 4
          //link.springer.com/article/10.1007/s00894-011-1167-4
        64. Article: Photoionization and dissociation study of p-nitrotoluene: Experimental and theoretical insights
          Zhang, Qiang and Fang, Wenzheng and Xie, Yang and Cao, Maoqi and Zhao, Yujie and Shan, Xiaobin and Liu, Fuyi and Wang, Zhenya and Sheng, Liusi
          Journal of Molecular Structure, 2012, 1020, 105--111, 0
          //www.sciencedirect.com/science/article/pii/S0022286012002955
        65. Article: Mechanism of palladium-catalyzed decarboxylative cross-coupling between cyanoacetate salts and aryl halides
          Jiang, YuanYe and Fu, Yao and Liu, Lei
          Science China Chemistry, 2012, 1--6, 0, Springer
        66. Article: A Monte Carlo Study of Spin Polarization of Secondary Electrons
          (丁澤軍)S.F. Mao, X. Sun, X.W. Fang, B. Da and Z.J. Ding
          Surface and Interface Analysis, 2012, 44, 703, 0
        67. Article: Influence of surface roughness on elastically backscattered electrons
          Da, B. and Mao, S. F. and Zhang, G. H. and Wang, X. P. and Ding, Z. J.
          Surface and Interface Analysis, 2012, 44, 647--652, 6
          //onlinelibrary.wiley.com/doi/10.1002/sia.4807/full
        68. Article: 鉻族金屬氫化物中 MH 鍵鍵能的從頭計算
          唐詩雅 and 傅堯 and 郭慶祥
          化學學報, 2012, 70, 1923--1929, 18
          //sioc-journal.cn/Jwk_hxxb/CN/article/downloadArticleFile.do?attachType=PDF&id=341580
        69. InProceedings: Design and Implement of Auto-Scaling System Based on Eucalyptus Cloud-Computing Platform
          Wang, Wei Wei and Li, Jing and Guo, Yuan Yuan and Song, Hu and Liu, Xin Chun
          Advanced Materials Research, 2012, 546, 1433--1438, 0, Trans Tech Publ
          //www.scientific.net/AMR.546-547.1433
        70. InProceedings: Design and implementation of mobile widget composition framework and tool for end-user
          Zhou, Rui and Meng, Haiyan and Liu, Xinchun and Hu, Shu and Li, Jing and Rao, Jinghai and Chen, Canfeng
          Computing Technology and Information Management (ICCM), 2012 8th International Conference on, 2012, 2, 767--770, 0, IEEE
          //ieeexplore.ieee.org/xpls/abs_all.jsp?arnumber=6268604
        71. InProceedings: IdleCached: an idle resource cached dynamic scheduling algorithm in cloud computing
          Song, Hu and Li, Jing and Liu, Xinchun
          Ubiquitous Intelligence & Computing and 9th International Conference on Autonomic & Trusted Computin, 2012, 912--917, 0, IEEE
          //ieeexplore.ieee.org/xpls/abs_all.jsp?arnumber=6332105
        72. Article: A New Analytical Method in Surface Electron Spectroscopy: Reverse Monte Carlo Method
          Da, B and Mao, SF and Sun, Y and Ding, ZJ
          e-Journal of Surface Science and Nanotechnology, 2012, 10, 441--446, 0, 公益社団法人 日本表面科學會
        73. Article: Fully Homomorphic Encryption, Approximate Lattice Problem and LWE
          Chunsheng, Gu
          International Journal of Cloud Computing and Services Science (IJ-CLOSER), 2012, 2, 1--15, 1
        74. Article: The conductive path in HfO2: first principles study
          Maoxiu, Zhou and Qiang, Zhao and Wei, Zhang and Qi, Liu and Yuehua, Dai
          Journal of Semiconductors, 2012, 33, 072002, 7
          //iopscience.iop.org/1674-4926/33/7/072002
        75. Article: Azide Addition to an Endohedral Metallofullerene: Formation of Azafulleroids of Sc3N@Ih-C80
          Liu, Tong-Xin and Wei, Tao and Zhu, San-E and Wang, Guan-Wu and Jiao, Mingzhi and Yang, Shangfeng and Bowles, Faye L and Olmstead, Marilyn M and Balch, Alan L
          Journal of the American Chemical Society, 2012, 00, 0
        76. Article: Quantum Factorization of 143 on a Dipolar-Coupling Nuclear Magnetic Resonance System
          Xu, Nanyang and Zhu, Jing and Lu, Dawei and Zhou, Xianyi and Peng, Xinhua and Du, Jiangfeng
          Physical Review Letters, 2012, 03, 0
        77. Article: Small-number effects: A third stable state in a genetic bistable toggle switch
          Ma, Rui and Wang, Jichao and Hou, Zhonghuai and Liu, Haiyan
          Physical Review Letters, 2012, 10, 0
        78. Article: Deriving Effective Energy Loss Function for Silver from XPS Spectrum
          Tang, T and Zhang, ZM and Ding, ZJ and Yoshikawa, H
          Physics Procedia, 2012, 32, 165--172, 0, Elsevier
        79. Article: Optimized grid-based protein--protein docking as a global search tool followed by incorporating experimentally derivable restraints
          Huang, Wei and Liu, Haiyan
          Proteins: Structure, Function, and Bioinformatics, 2012, 80, 691--702, 3, Wiley Online Library
        80. Article: Unimpeded Permeation of Water Through Helium-Leak-Tight Graphene-Based Membranes
          Nair, RR and Wu, HA and Jayaram, PN and Grigorieva, IV and Geim, AK
          Science, 2012, 01, 0
        81. Article: The effects of initial perturbation to mixing-layer noise
          Zhou, Lin and Wan, Zhenhua and Sun, Dejun and Wei, Mingjun
          Theoretical and Applied Mechanics Letters, 2012, 2, 032003, 3
          //scitation.aip.org/content/cstam/journal/taml/2/3/10.1063/2.1203203
        82. Article: Promotion of microbial extracellular electron transfer by choosing appropriate phenazine-type redox mediators: Theoretical and experimental investigations(受超算中心支持)
          (俞漢青)
          under review, 2012, 0
        83. Article: 基于 WCCN 和余弦評分的話者確認研究
          丁聰敏 and 唐建 and 郭立
          188bet足球學報, 2012, 10, 007, 0
        84. Article: 破解較快速的整數上的全同態加密方案
          古春生 and 景征駿 and 于志敏
          計算機工程與應用, 2012, 2127, 0

        2011年:27篇

        1. Article: Experimental and theoretical investigations on the negative influence of an applied magnetic field on SERS of Ag nanoparticles
          Kong, Xiangkai and Chen, Qianwang and Li, Ran and Cheng, Kai and Yan, Nan and Yu, Binxing
          Chemical Communications, 2011, 47, 11237--11239, 40
          //pubs.rsc.org/en/content/articlehtml/2011/cc/c1cc14061b
        2. Article: STM studies of single molecules: molecular orbital aspects
          Li, Bin and Li, Zhenyu and Yang, Jinlong and Hou, J. G.
          Chemical Communications, 2011, 47, 2747--2762, 10
          //pubs.rsc.org/en/content/articlehtml/2011/cc/c0cc03021j
        3. Article: Mechanistic Origin of Ligand-Controlled Regioselectivity in Pd-Catalyzed C? H Activation/Arylation of Thiophenes
          Tang, Shi-Ya and Guo, Qing-Xiang and Fu, Yao
          Chemistry-A European Journal, 2011, 17, 13866--13876, 49
          //onlinelibrary.wiley.com/doi/10.1002/chem.201101587/full
        4. Article: Hydride Dissociation Energies of Six-Membered Heterocyclic Organic Hydrides Predicted by ONIOM-G4Method
          Shi, Jing and Huang, Xiong-Yi and Wang, Hua-Jing and Fu, Yao
          Journal of chemical information and modeling, 2011, 52, 63--75, 1, ACS Publications
        5. Article: Hiyama Cross-Coupling of Arenediazonium Salts under Mild Reaction Conditions
          Cheng, Kai and Wang, Chen and Ding, Yiyuan and Song, Qingbao and Qi, Chenze and Zhang, Xian-Man
          The Journal of organic chemistry, 2011, 76, 9261--9268, 22
          //pubs.acs.org/doi/abs/10.1021/jo201437j
        6. Article: A First Principles Study on the Dissociation and Rotation Processes of a Single O2 Molecule on the Pt (111) Surface
          Fu, Qiang and Yang, Jinlong and Luo, Yi
          The Journal of Physical Chemistry C, 2011, 115, 6864--6869, 14
          //pubs.acs.org/doi/abs/10.1021/jp200687t
        7. Article: Are Azafullerene Encapsulated Single-Walled Carbon Nanotubes n-Type Semiconductors?
          Ni, Shuang and He, Wei and Li, Zhenyu and Yang, Jinlong
          The Journal of Physical Chemistry C, 2011, 115, 12760--12762, 26
          //pubs.acs.org/doi/abs/10.1021/jp2017874
        8. Article: First-principles thermodynamics of graphene growth on Cu surfaces
          Zhang, Wenhua and Wu, Ping and Li, Zhenyu and Yang, Jinlong
          The Journal of Physical Chemistry C, 2011, 115, 17782--17787, 36
          //pubs.acs.org/doi/abs/10.1021/jp2006827
        9. Article: Half-metallic Dirac point in B-edge hydrogenated BN nanoribbons
          Kan, Erjun and Wu, Fang and Xiang, Hongjun and Yang, Jinlong and Whangbo, Myung-Hwan
          The Journal of Physical Chemistry C, 2011, 115, 17252--17254, 35
          //pubs.acs.org/doi/abs/10.1021/jp2015269
        10. Article: Half-metallicity in hybrid graphene/boron nitride nanoribbons with dihydrogenated edges
          Liu, Yuling and Wu, Xiaojun and Zhao, Yu and Zeng, Xiao Cheng and Yang, Jinlong
          The Journal of Physical Chemistry C, 2011, 115, 9442--9450, 19, ACS Publications
        11. Article: Structure of graphene oxide: thermodynamics versus kinetics
          Lu, Ning and Yin, Di and Li, Zhenyu and Yang, Jinlong
          The Journal of Physical Chemistry C, 2011, 115, 11991--11995, 24
          //pubs.acs.org/doi/abs/10.1021/jp204476q
        12. Article: Theoretical Prediction of hydrogen storage on ZnO sheet
          Si, H. and Peng, L. J. and Morris, James R. and Pan, B. C.
          The Journal of Physical Chemistry C, 2011, 115, 9053--9058, 18
          //pubs.acs.org/doi/abs/10.1021/jp111394v
        13. Article: The elastic properties of Mn3 (Cu1- xGex) N compounds
          Qu, B. Y. and He, H. Y. and Pan, B. C.
          AIP Advances, 2011, 1, 042125, 4
          //scitation.aip.org/content/aip/journal/adva/1/4/10.1063/1.3658025
        14. Article: The dynamical process of the phase transition from VO2 (M) to VO2 (R)
          Qu, B. Y. and He, H. Y. and Pan, B. C.
          Journal of Applied Physics, 2011, 110, 113517, 11
          //scitation.aip.org/content/aip/journal/jap/110/11/10.1063/1.3665640
        15. Article: Green Eu 2+-doped Ba 3 Si 6 O 12 N 2 phosphor for white light-emitting diodes: Synthesis, characterization and theoretical simulation
          Tang, JiaYe and Chen, JunHua and Hao, LuYuan and Xu, Xin and Xie, WenJie and Li, QunXiang
          Journal of Luminescence, 2011, 131, 1101--1106, 6
          //www.sciencedirect.com/science/article/pii/S0022231311000408
        16. Article: Theoretical study of the new compound VO 2 (D)
          Qu, B. Y. and Liu, Liang and Xie, Y. and Pan, B. C.
          Physics Letters A, 2011, 375, 3474--3477, 39
          //www.sciencedirect.com/science/article/pii/S0375960111009480
        17. Article: On the electronic structures and electron affinities of the m-benzoquinone (BQ) diradical and the o-, p-BQ molecules: a synergetic photoelectron spectroscopic and theoretical study
          Fu, Qiang and Yang, Jinlong and Wang, Xue-Bin
          The Journal of Physical Chemistry A, 2011, 115, 3201--3207, 15, ACS Publications
        18. Article: Anionic Production Pathways Involved in the Reaction between OH-and CH2ClF
          SONG, Lei and YU, Feng and WU, Li-Xia and ZHOU, Xiao-Guo and LIU, Shi-Lin
          Acta Physico-Chimica Sinica, 2011, 27, 801--807, 4
          //www.ingentaconnect.com/content/apcs/apcs/2011/00000027/00000004/art00008
        19. Article: OH-與 CH2ClF 反應的陰離子產物通道
          宋磊 and 于鋒 and 吳琍霞 and 周曉國 and 劉世林
          Acta Physico-Chimica Sinica, 2011, 27, 1, 0
          //www.whxb.pku.edu.cn/CN/article/downloadArticleFile.do?attachType=PDF&id=27470
        20. Article: Nearly Free Electron State in Graphane Nanoribbon Superlattice
          Qiao-hong Liu and Zhen-yu Li and Jin-long Yang
          Chinese Journal of Chemical Physics, 2011, 24, 22, 1
          //stacks.iop.org/1674-0068/24/i=1/a=05
        21. Article: A computational study of C? S bond dissociation enthalpies in petroleum chemistry
          Shi, Jing and Hu, Xi-Rui and Liang, Shuang
          Heteroatom Chemistry, 2011, 22, 97--105, 2, Wiley Online Library
        22. Article: A computational study of C? X (X= H, C, F, Cl) bond dissociation enthalpies (BDEs) in polyhalogenated methanes and ethanes
          Shi, Jing and He, Jian and Wang, Hua-Jing
          Journal of Physical Organic Chemistry, 2011, 24, 65--73, 1, Wiley Online Library
        23. InProceedings: Performance optimization of Top-k queries on GPU
          Luo, Tao and Sun, Guang-Zhong and Chen, Guoliang
          Parallel Architectures, Algorithms and Programming (PAAP), 2011 Fourth International Symposium on, 2011, 9--13, 0, IEEE
          //ieeexplore.ieee.org/xpls/abs_all.jsp?arnumber=6128467
        24. Article: Tunable band gap of graphane nanoribbons under uniaxial elastic strain: a first-principles study
          Zhang, Yan and Wu, Xiaojun and Li, Qunxiang and Yang, Jinlong
          arXiv preprint arXiv:1111.6336, 2011, 0
          //arxiv.org/abs/1111.6336
        25. Article: Diamondization of Graphene and Graphene-BN Bilayers: Chemical Functionalization and Electronic Structure Engineering
          Yuan, Long and Li, Zhenyu and Yang, Jinlong and Hou, Jian Guo
          arXiv preprint arXiv:1112.4984, 2011, 0
          //arxiv.org/abs/1112.4984
        26. Article: Atomistic Mechanisms of Nonlinear Graphene Growth on Ir Surface
          Wu, Ping and Jiang, Huijun and Zhang, Wenhua and Li, Zhenyu and Hou, Zhonghuai and Yang, Jinlong
          arXiv preprint arXiv:1112.5698, 2011, 0
          //arxiv.org/abs/1112.5698
        27. Article: First-principle investigation of the electronic and magnetic properties of PbMn (SO 4) 2
          Wu, Fang and Kan, Er-jun and Li, Zhen-yu
          Frontiers of Physics in China, 2011, 6, 96--99, 0
          //link.springer.com/article/10.1007/s11467-010-0154-z

        2010年:19篇

        1. Article: Single-molecule chemistry of metal phthalocyanine on noble metal surfaces
          Li, Zhenyu and Li, Bin and Yang, Jinlong and Hou, Jian Guo
          Accounts of Chemical Research, 2010, 43, 954--962, 7
          //pubs.acs.org/doi/abs/10.1021/ar9001558
        2. Article: Noncovalent functionalization of BN nanotubes with perylene derivative molecules: an ab initio study
          Gou, Gaoyang and Pan, Bicai and Shi, Lei
          Acs Nano, 2010, 4, 1313--1320, 3
          //pubs.acs.org/doi/abs/10.1021/nn900872t
        3. Article: Ferroelectricity in Perovskites with s0 A-Site Cations: Toward Near-Room-Temperature Multiferroics
          Kan, Erjun and Xiang, Hongjun and Lee, Changhoon and Wu, Fang and Yang, Jinlong and Whangbo, Myung-Hwan
          Angewandte Chemie International Edition, 2010, 49, 1603--1606, 9
          //onlinelibrary.wiley.com/doi/10.1002/anie.200905997/full
        4. Article: Nearly Free Electron Superatom States of Carbon and Boron Nitride Nanotubes
          Hu, Shuanglin and Zhao, Jin and Jin, Yingdi and Yang, Jinlong and Petek, Hrvoje and Hou, J. G.
          Nano letters, 2010, 10, 4830--4838, 12
          //pubs.acs.org/doi/abs/10.1021/nl1023854
        5. Article: Ferrimagnetism in zigzag graphene nanoribbons induced by main-group adatoms
          Kan, Erjun and Xiang, Hongjun and Wu, Fang and Lee, Changhoon and Yang, Jinlong and Whangbo, Myung-Hwan
          Applied Physics Letters, 2010, 96, 102503, 10
          //www.researchgate.net/profile/Erjun_Kan/publication/230695413_Ferrimagnetism_in_zigzag_graphene_nanoribbons_induced_by_main-group_adatoms/links/09e415032e2176f302000000.pdf
        6. Article: Prediction for room-temperature half-metallic ferromagnetism in the half-fluorinated single layers of BN and ZnO
          Kan, E. J. and Xiang, H. J. and Wu, F. and Tian, C. and Lee, C. and Yang, J. L. and Whangbo, M.-H.
          Applied Physics Letters, 2010, 97, 122503, 12
          //scitation.aip.org/content/aip/journal/apl/97/12/10.1063/1.3491416
        7. Article: Boron K 4 crystal: a stable chiral three-dimensional sp 2 network
          Dai, Jun and Li, Zhenyu and Yang, Jinlong
          Physical Chemistry Chemical Physics, 2010, 12, 12420--12422, 39
          //pubs.rsc.org/en/content/articlehtml/2010/cp/c0cp00735h
        8. Article: Single-stranded DNA adsorption on chiral molecule coated Au surface: a molecular dynamics study
          Liang, Haiqing and Li, Zhenyu and Yang, Jinlong
          Physical Chemistry Chemical Physics, 2010, 12, 4431--4434, 17
          //pubs.rsc.org/en/content/articlehtml/2010/cp/b923012b
        9. Article: Understanding the concept of randomness in inelastic electron tunneling excitations
          Fu, Qiang and Luo, Yi and Yang, Jinlong and Hou, Jianguo
          Physical Chemistry Chemical Physics, 2010, 12, 12012--12023, 38
          //pubs.rsc.org/en/content/articlehtml/2010/cp/b926310a
        10. Article: On the Scattering Enhancement of N? V? 1240 Emission Line of Quasi-stellar Objects
          Wang, Huiyuan and Wang, Tinggui and Yuan, Weimin and Wang, Junxian and Dong, Xiaobo and Zhou, Hongyan
          The Astrophysical Journal, 2010, 710, 78, 1
          //iopscience.iop.org/0004-637X/710/1/78
        11. Article: Communication: Coalescence of carbon atoms on Cu (111) surface: Emergence of a stable bridging-metal structure motif
          Wu, Ping and Zhang, Wenhua and Li, Zhenyu and Yang, Jinlong and Hou, Jian Guo
          The Journal of chemical physics, 2010, 133, 071101, 7
          //scitation.aip.org/content/aip/journal/jcp/133/7/10.1063/1.3473045
        12. Article: Identifying configuration and orientation of adsorbed molecules by inelastic electron tunneling spectra
          Ren, Hao and Yang, Jinlong and Luo, Yi
          The Journal of chemical physics, 2010, 133, 064702, 6
          //scitation.aip.org/content/aip/journal/jcp/133/6/10.1063/1.3474807
        13. Article: Electronic, magnetic, and transport properties of Fe-COT clusters: A theoretical study
          Huang, Jing and Li, Qunxiang and Xu, Ke and Su, Haibin and Yang, Jinlong
          The Journal of Physical Chemistry C, 2010, 114, 11946--11950, 27
          //pubs.acs.org/doi/abs/10.1021/jp101554c
        14. Article: Strain-induced semiconducting-metallic transition for ZnO zigzag nanoribbons
          Si, H. and Pan, B. C.
          Journal of Applied Physics, 2010, 107, 094313, 9
          //scitation.aip.org/content/aip/journal/jap/107/9/10.1063/1.3374684
        15. Article: Ab Initio Prediction of Amorphous B84
          Shang, Bo and Yuan, Lan-Feng and Zeng, Xiao Cheng and Yang, Jinlong
          The Journal of Physical Chemistry A, 2010, 114, 2245--2249, 6
          //pubs.acs.org/doi/abs/10.1021/jp907976y
        16. Article: Electron-phonon coupling in Gallium-doped Germanium
          Jun, Dai and Zhen-Yu, Li and Jin-Long, Yang
          Chinese Physics Letters, 2010, 27, 086102, 8
          //iopscience.iop.org/0256-307X/27/8/086102
        17. Article: Dynamic reaction pathways of anionic products on the exit-channel potential energy surface for the reaction of O- with C 2 H 4
          Yu, Feng and Wu, Lixia and Song, Lei and Zhou, Xiaoguo and Liu, Shilin
          Journal of Molecular Structure: Theochem, 2010, 958, 41--47, 1
          //www.sciencedirect.com/science/article/pii/S016612801000477X
        18. InProceedings: Efficient parallel top-k computation algorithm using symmetry breaking
          Wu, Chao and Sun, Guang-zhong and Chen, Guo-liang
          Parallel and Distributed Processing with Applications (ISPA), 2010 International Symposium on, 2010, 231--235, 0, IEEE
          //ieeexplore.ieee.org/xpls/abs_all.jsp?arnumber=5634337
        19. Article: Rotation and dissociation dynamics of a single O2 molecule on the Pt (111) surface determined from a first principles study
          Fu, Qiang and Yang, Jinlong and Luo, Yi
          arXiv preprint arXiv:1010.5697, 2010, 0
          //arxiv.org/abs/1010.5697

        2009年:23篇

        1. Article: How graphene is cut upon oxidation?
          Li, Zhenyu and Zhang, Wenhua and Luo, Yi and Yang, Jinlong and Hou, Jian Guo
          Journal of the American Chemical Society, 2009, 131, 6320--6321, 18
          //pubs.acs.org/doi/abs/10.1021/ja8094729
        2. Article: The nature of radiative transitions in o-doped boron nitride nanotubes
          Gou, Gaoyang and Pan, Bicai and Shi, Lei
          Journal of the American Chemical Society, 2009, 131, 4839--4845, 13
          //pubs.acs.org/doi/abs/10.1021/ja809550u
        3. Article: Graphene nanoribbon as a negative differential resistance device
          Ren, Hao and Li, Qun-Xiang and Luo, Yi and Yang, Jinlong
          Applied Physics Letters, 2009, 94, 173110, 17
          //scitation.aip.org/content/aip/journal/apl/94/17/10.1063/1.3126451
        4. Article: Magnetic states of zigzag graphene nanoribbons from first principles
          Wu, Fang and Kan, Erjun and Xiang, Hongjun and Wei, Su-Huai and Whangbo, Myung-Hwan and Yang, Jinlong
          Applied Physics Letters, 2009, 94, 223105, 22
          //scitation.aip.org/content/aip/journal/apl/94/22/10.1063/1.3147854
        5. Article: Chemical functionalization on planar polysilane and graphane
          Lu, Ning and Li, Zhenyu and Yang, Jinlong
          Journal of Physical Chemistry C, 2009, 113, 16741-16746, 0
          //arxiv.org/abs/0904.4540
        6. Article: Reconstructing the cosmic density field with the distribution of dark matter haloes
          Wang, Huiyuan and Mo, H. J. and Jing, Y. P. and Guo, Yicheng and Van Den Bosch, Frank C. and Yang, Xiaohu
          Monthly Notices of the Royal Astronomical Society, 2009, 394, 398--414, 1
          //mnras.oxfordjournals.org/content/394/1/398.short
        7. Article: A density functional study on cationic Au n Cu m+ clusters and their monocarbonyls
          Zhao, Yu and Li, Zhenyu and Yang, Jinlong
          Physical Chemistry Chemical Physics, 2009, 11, 2329--2334, 13
          //pubs.rsc.org/en/content/articlehtml/2009/cp/b817806b
        8. Article: Efficient organometallic spin filter based on Europium-cyclooctatetraene wire
          Xu, Ke and Huang, Jing and Lei, Shulai and Su, Haibin and Boey, Freddy YC and Li, Qunxiang and Yang, Jinlong
          The Journal of Chemical Physics, 2009, 131, 104704, 10
          //scitation.aip.org/content/aip/journal/jcp/131/10/10.1063/1.3224175
        9. Article: Funnel hopping: Searching the cluster potential energy surface over the funnels
          Cheng, Longjiu and Feng, Yan and Yang, Jie and Yang, Jinlong
          The Journal of chemical physics, 2009, 130, 214112, 21
          //scitation.aip.org/content/aip/journal/jcp/130/21/10.1063/1.3152121
        10. Article: Hydrogen in Ag-doped ZnO: theoretical calculations
          He, H. Y. and Hu, J. and Pan, B. C.
          The Journal of chemical physics, 2009, 130, 204516, 20
          //scitation.aip.org/content/aip/journal/jcp/130/20/10.1063/1.3146793
        11. Article: Oxidation states of graphene: insights from computational spectroscopy
          Zhang, Wenhua and Carravetta, Vincenzo and Li, Zhenyu and Luo, Yi and Yang, Jinlong
          The Journal of Chemical Physics, 2009, 131, 244505, 24
          //scitation.aip.org/content/aip/journal/jcp/131/24/10.1063/1.3276339
        12. Article: “Compressing liquid”: An efficient global minima search strategy for clusters
          Zhou, R. L. and Zhao, L. Y. and Pan, B. C.
          The Journal of Chemical Physics, 2009, 131, 034108, 3
          //scitation.aip.org/content/aip/journal/jcp/131/3/10.1063/1.3176511
        13. Article: Electron Transport in Butane Molecular Wires with Different Anchoring Groups Containing N, S, and P: A First Principles Study
          Feng, X. Y. and Li, Zhenyu and Yang, Jinlong
          The Journal of Physical Chemistry C, 2009, 113, 21911--21914, 52
          //pubs.acs.org/doi/abs/10.1021/jp908347s
        14. Article: Electronic structure engineering via on-plane chemical functionalization: a comparison study on two-dimensional polysilane and graphane
          Lu, Ning and Li, Zhenyu and Yang, Jinlong
          The Journal of Physical Chemistry C, 2009, 113, 16741--16746, 38
          //pubs.acs.org/doi/abs/10.1021/jp904208g
        15. Article: First principles study on the geometric and electronic structures of the FeO/Pt (111) surface
          Zhang, Wenhua and Li, Zhenyu and Luo, Yi and Yang, Jinlong
          The Journal of Physical Chemistry C, 2009, 113, 8302--8305, 19
          //pubs.acs.org/doi/abs/10.1021/jp810751j
        16. Article: Theoretical Study of H Diffusion Behavior and the Vibrational Properties of Li- H Complexes in ZnO
          Hu, J. and He, H. Y. and Pan, B. C.
          The Journal of Physical Chemistry C, 2009, 113, 11381--11384, 26
          //pubs.acs.org/doi/abs/10.1021/jp8110106
        17. Article: Effects of nitrogen vacancies on transition-metal-doped GaN: An ab initio study
          Xu, B. and Pan, B. C.
          Journal of Applied Physics, 2009, 105, 103710, 10
          //scitation.aip.org/content/aip/journal/jap/105/10/10.1063/1.3132092
        18. Article: Implementation of Exact Exchange with Numerical Atomic Orbitals
          Shang, Honghui and Li, Zhenyu and Yang, Jinlong
          The Journal of Physical Chemistry A, 2009, 114, 1039--1043, 2
          //pubs.acs.org/doi/abs/10.1021/jp908836z
        19. Article: Transport properties through diarylethene derivatives between carbon nanotube electrodes: A theoretical study
          Huang, Jing and Li, Qunxiang and Su, Haibin and Yang, Jinlong
          Chemical Physics Letters, 2009, 479, 120--124, 1
          //www.sciencedirect.com/science/article/pii/S0009261409009701
        20. Article: First Principles Study on FeAs Single Layers
          Dai, Jun and Li, Zhen-yu and Yang, Jin-long
          Chinese Journal of Chemical Physics, 2009, 22, 139--142, 2
          //scitation.aip.org/content/cps/journal/cjcp/22/2/10.1088/1674-0068/22/02/139-142
        21. Article: First-principles Study of Electron Transport Through Oligoacenes
          Pan, Zhen and Li, Qun-xiang and Shi, Qin-wei and Wang, Xiao-ping
          Chinese Journal of Chemical Physics, 2009, 22, 7--12, 1
          //scitation.aip.org/content/cps/journal/cjcp/22/1/10.1088/1674-0068/22/01/7-12
        22. Article: A first-principles study on the electronic structure of one-dimensional [TM (Bz)]∞ polymer (TM= Y, Zr, Nb, Mo, and Tc)
          Tjornhammar, Richard and others
          Frontiers of Physics in China, 2009, 4, 403--407, 3
          //link.springer.com/article/10.1007/s11467-009-0054-2
        23. Article: Chiral selective tunneling induced graphene nanoribbon switch
          Shi, Qin-wei and Wang, Zheng-fei and Li, Qun-xiang and Yang, Jin-long
          Frontiers of Physics in China, 2009, 4, 373--377, 0
          //link.springer.com/article/10.1007/s11467-009-0027-5

        2008年:24篇

        1. Article: Half-metallicity in edge-modified zigzag graphene nanoribbons
          Kan, Er-jun and Li, Zhenyu and Yang, Jinlong and Hou, J. G.
          Journal of the American Chemical Society, 2008, 130, 4224--4225, 13
          //pubs.acs.org/doi/abs/10.1021/ja710407t
        2. Article: A first principles study on organic molecules encapsulated BN nanotubes
          He, Wei and Li, Zhenyu and Yang, Jinlong and Hou, J. G.
          Journal of Chemical Physics, 2008, 128, 164701, 0
          //arxiv.org/abs/0804.2165
        3. Article: Electronic structures of defective BN nanotubes under transverse electric fields
          Hu, Shuanglin and Li, Zhenyu and Zeng, X. C. and Yang, Jinlong
          Journal of Physical Chemistry C, 2008, 112, 8424, 0
          //arxiv.org/abs/0804.2171
        4. Article: A study of the size-dependent elastic properties of ZnO nanowires and nanotubes
          Hu, J. and Liu, X. W. and Pan, B. C.
          Nanotechnology, 2008, 19, 285710, 28
          //iopscience.iop.org/0957-4484/19/28/285710
        5. Article: Interaction between gallium atoms and the inner walls of single-walled carbon nanotubes
          Xu, B. and Pan, B. C.
          Nanotechnology, 2008, 19, 075706, 7
          //iopscience.iop.org/0957-4484/19/7/075706
        6. Article: Molecular dynamics simulations of the metallic behavior of the Si (001) surface at high temperatures
          Pan, B. C. and He, H. Y.
          Physical Review B, 2008, 77, 113302, 11
          //journals.aps.org/prb/abstract/10.1103/PhysRevB.77.113302
        7. Article: A first principles study on organic molecule encapsulated boron nitride nanotubes
          He, Wei and Li, Zhenyu and Yang, Jinlong and Hou, J. G.
          The Journal of chemical physics, 2008, 128, 164701, 16
          //scitation.aip.org/content/aip/journal/jcp/128/16/10.1063/1.2901026
        8. Article: A first-principles study of NO adsorption and oxidation on Au (111) surface
          Zhang, Wenhua and Li, Zhenyu and Luo, Yi and Yang, Jinlong
          The Journal of Chemical Physics, 2008, 129, 134708, 13
          //scitation.aip.org/content/aip/journal/jcp/129/13/10.1063/1.2985668
        9. Article: Electronic structures of organic molecule encapsulated BN nanotubes under transverse electric field
          He, Wei and Li, Zhenyu and Yang, Jinlong and Hou, J. G.
          The Journal of chemical physics, 2008, 129, 024710, 2
          //scitation.aip.org/content/aip/journal/jcp/129/2/10.1063/1.2946708
        10. Article: Electronic structures of SiC nanoribbons
          Sun, Lian and Li, Yafei and Li, Zhenyu and Li, Qunxiang and Zhou, Zhen and Chen, Zhongfang and Yang, Jinlong and Hou, J. G.
          The Journal of chemical physics, 2008, 129, 174114, 17
          //scitation.aip.org/content/aip/journal/jcp/129/17/10.1063/1.3006431
        11. Article: Strain effect on electronic structures of graphene nanoribbons: A first-principles study
          Sun, Lian and Li, Qunxiang and Ren, Hao and Su, Haibin and Shi, Q. W. and Yang, Jinlong
          The Journal of chemical physics, 2008, 129, 074704, 7
          //scitation.aip.org/content/aip/journal/jcp/129/7/10.1063/1.2958285
        12. Article: Detecting a Molecule- Surface Hybrid State by an Fe-Coated Tip with a Non-s-Like Orbital
          Hu, Zhenpeng and Chen, Lan and Zhao, Aidi and Li, Zhenyu and Wang, Bing and Yang, Jinlong and Hou, J. G.
          The Journal of Physical Chemistry C, 2008, 112, 15603--15606, 40
          //pubs.acs.org/doi/abs/10.1021/jp8065508
        13. Article: Electronic and magnetic properties of metal phthalocyanines on Au (111) surface: A first-principles study
          Hu, Zhenpeng and Li, Bin and Zhao, Aidi and Yang, Jinlong and Hou, J. G.
          The Journal of Physical Chemistry C, 2008, 112, 13650--13655, 35
          //pubs.acs.org/doi/abs/10.1021/jp8043048
        14. Article: Electronic structures of defective boron nitride nanotubes under transverse electric fields
          Hu, Shuanglin and Li, Zhenyu and Zeng, X. C. and Yang, Jinlong
          The Journal of Physical Chemistry C, 2008, 112, 8424--8428, 22
          //pubs.acs.org/doi/abs/10.1021/jp800096s
        15. Article: Formation and Dissociation of a Cu- H Complex in ZnO
          Hu, J. and Pan, B. C.
          The Journal of Physical Chemistry C, 2008, 112, 19142--19146, 48
          //pubs.acs.org/doi/abs/10.1021/jp806836t
        16. Article: Interaction of iron atoms with pristine and defective (8, 0) boron nitride nanotubes
          Gou, G. Y. and Pan, B. C. and Shi, L.
          The Journal of Physical Chemistry C, 2008, 112, 13571--13578, 35
          //pubs.acs.org/doi/abs/10.1021/jp802783p
        17. Article: Theoretical study of the site-dependent stabilities of intrinsic defects in a polar BN nanotube with finite length
          Gou, G. Y. and Pan, B. C. and Shi, L.
          The Journal of Physical Chemistry C, 2008, 112, 19353--19359, 49
          //pubs.acs.org/doi/abs/10.1021/jp806530n
        18. Article: Improved endohedral fullerenelike structures of silicon clusters Si31–Si39 by density functional calculations
          Zhou, R. L. and Pan, B. C.
          European Physical Journal D, 2008, 47, 367--372, 3
          //link.springer.com/article/10.1140/epjd/e2008-00049-7
        19. Article: Magnetism in graphene systems
          Kan, Erjun and Li, Zhenyu and Yang, Jinlong
          Nano, 2008, 3, 433--442, 6
          //www.worldscientific.com/doi/abs/10.1142/S1793292008001350
        20. Article: Does the Incoming Oxygen Atom Influence the Geometries and the Electronic and Magnetic Structures of Co n Clusters?
          Liu, Li and Zhao, Run-Ning and Han, Ju-Guang and Liu, Fu-Yi and Pan, Guo-Qiang and Sheng, Liu-Si
          The Journal of Physical Chemistry A, 2008, 113, 360--366, 1
          //pubs.acs.org/doi/abs/10.1021/jp8080244
        21. Article: First-Principles Study of Electronic and Magnetic Properties of Co n Mn m and Co n V m (m+ n≤ 6) Clusters
          Wu, Pan and Yuan, Lan-Feng and Yang, Jinlong
          The Journal of Physical Chemistry A, 2008, 112, 12320--12325, 48
          //pubs.acs.org/doi/abs/10.1021/jp804188u
        22. Article: Lattice Dynamics and Superconductivity of RuB2: A First-Principles Study
          Yue-Qin, Wang and Lan-Feng, Yuan and Jin-Long, Yang
          Chinese Physics Letters, 2008, 25, 3036, 8
          //iopscience.iop.org/0256-307X/25/8/081
        23. Article: Theoretical study of molecular nitrogen adsorption on Wn clusters
          Zhang, Xiurong and Ding, Xunlei and Fu, Qiang and Yang, Jinlong
          Journal of Molecular Structure: Theochem, 2008, 867, 17--21, 1
          //www.sciencedirect.com/science/article/pii/S016612800800420X
        24. Article: A first principles study on the electronic and magnetic properties of Ba $ \_ $\$1-x$\$ $ K $ \_x $ Fe $ \_2 $ As $ \_2$
          Dai, Jun and Li, Zhenyu and Yang, Jinlong and Hou, J. G.
          arXiv preprint arXiv:0808.0065, 2008, 0
          //arxiv.org/abs/0808.0065

        2007年:18篇

        1. Article: Quasi chiral phase separation in a two-dimensional orientationally disordered system: 6-nitrospiropyran on Au (111)
          Huang, Tian and Hu, Zhenpeng and Zhao, Aidi and Wang, Haiqian and Wang, Bing and Yang, Jinlong and Hou, J. G.
          Journal of the American Chemical Society, 2007, 129, 3857--3862, 13
          //pubs.acs.org/doi/abs/10.1021/ja066521p
        2. Article: Will zigzag graphene nanoribbon turn to half metal under electric field?
          Kan, Er-Jun and Li, Zhenyu and Yang, Jinlong and Hou, J. G.
          Applied physics letters, 2007, 91, 243116, 24
          //scitation.aip.org/content/aip/journal/apl/91/24/10.1063/1.2821112
        3. Article: Electronic structure of bilayer graphene: A real-space Green’s function study
          Wang, Z. F. and Li, Qunxiang and Su, Haibin and Wang, Xiaoping and Shi, Q. W. and Chen, Jie and Yang, Jinlong and Hou, J. G.
          Physical Review B, 2007, 75, 085424, 8
          //journals.aps.org/prb/abstract/10.1103/PhysRevB.75.085424
        4. Article: First-principles calculations of the electronic and magnetic properties of Cs 2 Ag F 4
          Kan, Er-Jun and Yuan, Lan-Feng and Yang, Jinlong and Hou, J. G.
          Physical Review B, 2007, 76, 024417, 2
          //journals.aps.org/prb/abstract/10.1103/PhysRevB.76.024417
        5. Article: Observation of local electronic structures of adatom vacancies in Si (111)-(7x7) surface in real space
          Chen, Lan and Pan, B. C. and Xiang, Hongjun and Wang, Bing and Yang, Jinlong and Hou, J. G. and Zhu, Qingshi
          Physical Review B, 2007, 75, 085329, 8
          //nanology.ustc.edu.cn/wenz/2007/PRB-75-085329-2007.pdf
        6. Article: Theoretical study of size-dependent properties of BN nanotubes with intrinsic defects
          Gou, G. Y. and Pan, B. C. and Shi, L.
          Physical Review B, 2007, 76, 155414, 15
          //journals.aps.org/prb/abstract/10.1103/PhysRevB.76.155414
        7. Article: Tuning the electronic structure of graphene nanoribbons through chemical edge modification: A theoretical study
          Wang, Z. F. and Li, Qunxiang and Zheng, Huaixiu and Ren, Hao and Su, Haibin and Shi, Q. W. and Chen, Jie
          Physical Review B, 2007, 75, 113406, 11
          //journals.aps.org/prb/abstract/10.1103/PhysRevB.75.113406
        8. Article: Electronic structure of atomic Ti chains on semiconducting graphene nanoribbons: A first-principles study
          Kan, Er-Jun and Xiang, H. J. and Yang, Jinlong and Hou, J. G.
          The Journal of chemical physics, 2007, 127, 164706, 16
          //scitation.aip.org/content/aip/journal/jcp/127/16/10.1063/1.2789424
        9. Article: Linear scaling calculation of band edge states and doped semiconductors
          Xiang, H. J. and Yang, Jinlong and Hou, J. G. and Zhu, Qingshi
          The Journal of chemical physics, 2007, 126, 244707, 24
          //scitation.aip.org/content/aip/journal/jcp/126/24/10.1063/1.2746322
        10. Article: Modified Morse potential for unification of the pair interactions
          Cheng, Longjiu and Yang, Jinlong
          The Journal of chemical physics, 2007, 127, 124104, 12
          //scitation.aip.org/content/aip/journal/jcp/127/12/10.1063/1.2777148
        11. Article: Switching mechanism of photochromic diarylethene derivatives molecular junctions
          Huang, Jing and Li, Qunxiang and Ren, Hao and Su, Haibin and Shi, Q. W. and Yang, Jinlong
          The Journal of chemical physics, 2007, 127, 094705, 9
          //scitation.aip.org/content/aip/journal/jcp/127/9/10.1063/1.2770733
        12. Article: Electron-induced ferromagnetic ordering of Co-doped ZnO
          Kan, Er-Jun and Yuan, Lan-Feng and Yang, Jinlong
          Journal of Applied Physics, 2007, 102, 033915, 3
          //scitation.aip.org/content/aip/journal/jap/102/3/10.1063/1.2763948
        13. Article: Novel lattice-searching method for modeling the optimal strain-free close-packed isomers of clusters
          Cheng, Longjiu and Yang, Jinlong
          The Journal of Physical Chemistry A, 2007, 111, 2336--2342, 12
          //pubs.acs.org/doi/abs/10.1021/jp0663816
        14. Article: Pair-hopping characteristic of lithium diffusive motion in Li-doped β-phase manganese phthalocyanine
          Du, Xiaosong and Li, Qunxiang and Chen, Ying and Su, Haibin and Yang, Jinlong
          The Journal of Physical Chemistry B, 2007, 111, 10064--10068, 34
          //pubs.acs.org/doi/abs/10.1021/jp072304e
        15. Article: Atomic and Molecular Chemisorption of Oxygen in WO4 Clusters
          Chen, Zhao-ying and Yang, Jin-long
          Chinese Journal of Chemical Physics, 2007, 20, 78--82, 1
          //scitation.aip.org/content/cps/journal/cjcp/20/1/10.1360/cjcp2007.20(1).78.5
        16. Article: Quantum dot based on Z-shaped graphene nanoribbon: First-principles study
          Ren, Hao and Li, Qun-xiang and Shi, Qin-wei and Yang, Jin-long
          Chinese Journal of Chemical Physics, 2007, 20, 489--494, 4
          //scitation.aip.org/content/cps/journal/cjcp/20/4/10.1088/1674-0068/20/04/489-494
        17. Article: Edge Effects on the Electronic Structures of Chemically Modified Armchair Graphene Nanoribbons
          Ren, Hao and Li, Qunxiang and Su, Haibin and Shi, Q. W. and Chen, Jie and Yang, Jinlong
          arXiv preprint arXiv:0711.1700, 2007, 0
          //arxiv.org/abs/0711.1700
        18. Article: An insight into the electronic structure of graphene: from monolayer to multi-layer
          Wang, Z. F. and Zheng, Huaixiu and Shi, Q. W. and Chen, Jie and Yang, Jinlong and Hou, J. G.
          arXiv preprint cond-mat/0703422, 2007, 0
          //arxiv.org/abs/cond-mat/0703422

        2006年:14篇

        1. Article: One-dimensional transition metal-benzene sandwich polymers: Possible ideal conductors for spin transport
          Xiang, Hongjun and Yang, Jinlong and Hou, J. G. and Zhu, Qingshi
          Journal of the American Chemical Society, 2006, 128, 2310--2314, 7
          //pubs.acs.org/doi/abs/10.1021/ja054751i
        2. Article: Linear-scaling density matrix perturbation treatment of electric fields in solids
          Xiang, H. J. and Yang, Jinlong and Hou, J. G. and Zhu, Qingshi
          Physical Review Letters, 2006, 97, 266402, 26
          //journals.aps.org/prl/abstract/10.1103/PhysRevLett.97.266402
        3. Article: Piezoelectricity in ZnO nanowires: A first-principles study
          Xiang, H. J. and Yang, Jinlong and Hou, J. G. and Zhu, Qingshi
          Applied Physics Letters, 2006, 89, 223111--223111, 22
          //www.researchgate.net/profile/Jinlong_Yang/publication/224404047_Piezoelectricity_in_ZnO_nanowires_A_first-principles_study/links/0912f507c0196e318c000000.pdf
        4. Article: Electronic and magnetic properties of V-doped anatase Ti O 2 from first principles
          Du, Xiaosong and Li, Qunxiang and Su, Haibin and Yang, Jinlong
          Physical Review B, 2006, 74, 233201, 23
          //journals.aps.org/prb/abstract/10.1103/PhysRevB.74.233201
        5. Article: Structural and electronic properties of $mathrmOsmathrmB_2$: A hard metallic material
          Chen, Z. Y. and Xiang, H. J. and Yang, Jinlong and Hou, J. G. and Zhu, Qingshi
          Physical Review B, 2006, Jul, 74, 1, 012102, 0, 4, American Physical Society
          //link.aps.org/doi/10.1103/PhysRevB.74.012102
        6. Article: Structural and electronic properties of Os B 2: A hard metallic material
          Chen, Z. Y. and Xiang, H. J. and Yang, Jinlong and Hou, J. G. and Zhu, Qingshi
          Physical Review B, 2006, 74, 012102, 1
          //journals.aps.org/prb/abstract/10.1103/PhysRevB.74.012102
        7. Article: Defects-enhanced dissociation of H2 on boron nitride nanotubes
          Wu, Xiaojun and Yang, Jinlong and Hou, J. G. and Zhu, Qingshi
          The Journal of chemical physics, 2006, 124, 054706, 5
          //scitation.aip.org/content/aip/journal/jcp/124/5/10.1063/1.2162897
        8. Article: Linear scaling calculation of maximally localized Wannier functions with atomic basis set
          Xiang, H. J. and Li, Zhenyu and Liang, W. Z. and Yang, Jinlong and Hou, J. G. and Zhu, Qingshi
          The Journal of chemical physics, 2006, 124, 234108, 23
          //scitation.aip.org/content/aip/journal/jcp/124/23/10.1063/1.2207622
        9. Article: Single quintuple bond [PhCrCrPh] molecule as a possible molecular switch
          Huang, Jiang and Li, Qunxing and Ren, Hao and Su, Haibin and Yang, Jinlong
          The Journal of chemical physics, 2006, 125, 184713, 18
          //scitation.aip.org/content/aip/journal/jcp/125/18/10.1063/1.2370906
        10. Article: Single-electron tunneling spectroscopy of single C60 in double-barrier tunnel junction
          Li, Bin and Zeng, Changgan and Zhao, Jin and Yang, Jinlong and Hou, J. G. and Zhu, Qingshi
          The Journal of chemical physics, 2006, 124, 064709, 6
          //scitation.aip.org/content/aip/journal/jcp/124/6/10.1063/1.2163333
        11. Article: Theoretical Study on Geometrical and Electronic Properties of Anionic and Neutral V2O6 Clusters
          Chen, Zhao-ying and Yang, Jin-long
          Chinese Journal of Chemical Physics, 2006, 19, 391--394, 5
          //scitation.aip.org/content/cps/journal/cjcp/19/5/10.1360/cjcp2006.19(5).391.4
        12. Article: Electronic and piezoelectric properties of BN nanotubes from hybrid density functional method
          Xiang, H. J. and Chen, Z. Y. and Yang, Jinlong
          Journal of Computational and Theoretical Nanoscience, 2006, 3, 838--842, 5
          //www.ingentaconnect.com/content/asp/jctn/2006/00000003/00000005/art00025
        13. Article: CHARGE AND SPIN ORDERING IN Na 0.5 CoO 2 FROM THE HYBRID DENSITY FUNCTIONAL STUDY
          Chen, Zhaoying and Xiang, Hongjun and Li, Zhenyu and Yang, Jinlong
          Journal of Theoretical & Computational Chemistry, 2006, 5, 515--522, 0
          //www.worldscientific.com/doi/abs/10.1142/S021963360600243X
        14. Article: Graphene switch design: An illustration of the Klein paradox
          Shi, Q. W. and Wang, Z. F. and Chen, Jie and Zheng, H. X. and Li, Qunxiang and Wang, Xiaoping and Yang, Jinlong and Hou, J. G.
          arXiv preprint cond-mat/0611604, 2006, 0
          //arxiv.org/abs/cond-mat/0611604

        2005年:12篇

        1. Article: Are fluorinated boron nitride nanotubes n-type semiconductors?
          Xiang, H. J. and Yang, Jinlong and Hou, J. G. and Zhu, Qingshi
          Applied Physics Letters, 2005, 87, 243113, 24
          //scitation.aip.org/content/aip/journal/apl/87/24/10.1063/1.2142290
        2. Article: Half-metallic ferromagnetism in transition-metal encapsulated boron nitride nanotubes
          Xiang, H. J. and Yang, Jinlong and Hou, J. G. and Zhu, Qingshi
          New Journal of Physics, 2005, 7, 39, 1
          //iopscience.iop.org/1367-2630/7/1/039
        3. Article: Density functional calculations of the polarizability and second-order hyperpolarizability of C 50 Cl 10
          Yang, Yi and Wang, Fu-He and Zhou, Yun-Song and Yuan, Lanfeng and Yang, Jinlong
          Physical Review A, 2005, 71, 013202, 1
          //journals.aps.org/pra/abstract/10.1103/PhysRevA.71.013202
        4. Article: Electronic transport properties of Pd-H junctions between two Pd H x (x= 0, 0.25, 0.5, 0.75, 1) electrodes: A nonequilibrium Green’s function study
          Wu, Xiaojun and Li, Qunxiang and Yang, Jinlong
          Physical Review B, 2005, 72, 115438, 11
          //journals.aps.org/prb/abstract/10.1103/PhysRevB.72.115438
        5. Article: Nonequilibrium electronic transport of 4, 4′-bipyridine molecular junction
          Wu, Xiaojun and Li, Qunxiang and Huang, Jing and Yang, Jinlong
          The Journal of chemical physics, 2005, 123, 184712, 18
          //scitation.aip.org/content/aip/journal/jcp/123/18/10.1063/1.2102902
        6. Article: Spin-unrestricted linear-scaling electronic structure theory and its application to magnetic carbon-doped boron nitride nanotubes
          Xiang, H. J. and Liang, W. Z. and Yang, Jinlong and Hou, J. G. and Zhu, Qingshi
          The Journal of chemical physics, 2005, 123, 124105, 12
          //scitation.aip.org/content/aip/journal/jcp/123/12/10.1063/1.2034448
        7. Article: Electronic transport property of 4, 4′-bipyridine molecular junction
          Li, Qunxiang and Wu, Xiaojun and Huang, Jing and Yang, Jinlong
          Ultramicroscopy, 2005, 105, 293--298, 1
          //www.sciencedirect.com/science/article/pii/S0304399105001518
        8. Article: A first-principles study of (R)-and (S)-PPA molecules on Cu (111)
          Dai, Bing and Yang, Jinlong and Hou, J. G. and Zhu, Qingshi
          The Journal of Physical Chemistry B, 2005, 109, 8833--8837, 18
          //pubs.acs.org/doi/abs/10.1021/jp047319g
        9. Article: Fermi Surface Topology of Na0. 5CoO2 from the Hybrid Density Functional
          Zhao-Ying, Chen and Hong-Jun, Xiang and Jin-Long, Yang
          Chinese Physics Letters, 2005, 22, 3155, 12
          //iopscience.iop.org/0256-307X/22/12/048
        10. Article: DENSITY FUNCTIONAL THEORY STUDY OF W 5 CLUSTERS
          Zhang, Xiurong and Ding, Xunlei and Yang, Jinlong
          International Journal of Modern Physics B, 2005, 19, 2427--2432, 15
          //www.worldscientific.com/doi/abs/10.1142/S0217979205031092
        11. Article: Density functional theory study of W n (n= 2–4) clusters
          Zhang, Xiurong and Ding, Xunlei and Dai, Bing and Yang, Jinlong
          Journal of Molecular Structure: Theochem, 2005, 757, 113--118, 1
          //www.sciencedirect.com/science/article/pii/S0166128005007190
        12. Article: Theoretical study of molecular nitrogen adsorption on Au clusters
          Ding, Xunlei and Yang, Jinlong and Hou, J. G. and Zhu, Qingshi
          Journal of Molecular Structure: Theochem, 2005, 755, 9--17, 1
          //www.sciencedirect.com/science/article/pii/S0166128005004677

        2004年:3篇

        1. Article: Electron-phonon coupling in a boron-doped diamond superconductor
          Xiang, H. J. and Li, Zhenyu and Yang, Jinlong and Hou, J. G. and Zhu, Qingshi
          Physical Review B, 2004, 70, 212504, 21
          //journals.aps.org/prb/abstract/10.1103/PhysRevB.70.212504
        2. Article: Hydrogen adsorption on zigzag (8, 0) boron nitride nanotubes
          Wu, Xiaojun and Yang, Jinlong and Hou, J. G. and Zhu, Qingshi
          The Journal of chemical physics, 2004, 121, 8481--8485, 17
          //scitation.aip.org/content/aip/journal/jcp/121/17/10.1063/1.1799958
        3. Article: Theoretical study of nitric oxide adsorption on Au clusters
          Ding, Xunlei and Li, Zhenyu and Yang, Jinlong and Hou, J. G. and Zhu, Qingshi
          The Journal of chemical physics, 2004, 121, 2558--2562, 6
          //scitation.aip.org/content/aip/journal/jcp/121/6/10.1063/1.1769359
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