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Chabazite Architecture Dominates the Structure of SAPO-34's Surface Methoxy Species 期刊论文
CATALYSIS LETTERS, 2019, 卷号: 149, 期号: 8, 页码: 2104-2109
Authors:  Zang, Kailu;  Zhang, Wenna;  Huang, Jindou;  Feng, Pei
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Zeolites  Reaction intermediates  Density functional theory  Methanol-to-olefins  SAPO-34  Surface methoxy species  Chabazite architecture  Steric hindrance  
Combination of Theory and Experiment Achieving a Rational Design of Electrocatalysts for Hydrogen Evolution on the Hierarchically Mesoporous CoS2 Microsphere 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 卷号: 123, 期号: 22, 页码: 13428-13433
Authors:  Wang, Anqi;  Zhang, Man;  Li, Haobo;  Wu, Fan;  Yan, Kai;  Xiao, Jianping
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Exceptional stability and chemical mechanism over spinel ZnCr2O4 catalyst for HCl oxidation to Cl-2 期刊论文
MOLECULAR CATALYSIS, 2019, 卷号: 470, 页码: 82-88
Authors:  Tian, Xin;  Guo, Chenxi;  Zhong, Hong;  Zhou, Yonghua;  Xiao, Jianping
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Chlorine recycling  HCl catalytic oxidation  Spinel  Zinc chromate  Cobalt chromate  
Double-Site Ni-W Nanosheet for Best Alkaline HER Performance at High Current Density >500 mA cm(-2) 期刊论文
ADVANCED MATERIALS INTERFACES, 2019, 卷号: 6, 期号: 10, 页码: 9
Authors:  Wu, Huan;  Kong, Lingqiao;  Ji, Yujin;  Yan, Junqing;  Ding, Yimin;  Li, Youyong;  Lee, Shuit-Tong;  Liu, Shengzhong (Frank)
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alkaline hydrogen evolution reaction (HER)  electrocatalysis  Ni(111)  W doping  water splitting  
Single atom tungsten doped ultrathin alpha-Ni(OH)(2) for enhanced electrocatalytic water oxidation 期刊论文
NATURE COMMUNICATIONS, 2019, 卷号: 10, 页码: 10
Authors:  Yan, Junqing;  Kong, Lingqiao;  Ji, Yujin;  White, Jai;  Li, Youyong;  Zhang, Jing;  An, Pengfei;  Liu, Shengzhong;  Lee, Shuit-Tong;  Ma, Tianyi
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Size-Dependent Formation of an Ion Pair in HSO4-(H2O)(n): A Molecular Model for Probing the Microsolvation of Acid Dissociation 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2019, 卷号: 10, 期号: 9, 页码: 2162-2169
Authors:  Li, Huiyan;  Kong, Xiangtao;  Jiang, Ling;  Liu, Zhi-Feng
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Influence of Cobalt Crystal Structures on Activation of Nitrogen Molecule: A First-Principles Study 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 卷号: 123, 期号: 17, 页码: 10956-10966
Authors:  Zhang, Bing-Yan;  Chen, Pei-Pei;  Liu, Jin-Xun;  Su, Hai-Yan;  Li, Wei-Xue
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Towards unifying the concepts of catalysis in confined space 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2019, 卷号: 161, 页码: 58-63
Authors:  Guo, Chenxi;  Xiao, Jianping
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A theoretical investigation on the structures of (NH3)center dot(H2SO4)center dot(H2O)(0-14) clusters 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2019, 卷号: 119, 期号: 7, 页码: 21
Authors:  Xu, Zhen-Zhen;  Fan, Hong-Jun
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binding enthalpy  conformational search  hydrogen bond  proton transfer  ternary cluster  
Interplay Between Site Activity and Density of BCC Iron for Ammonia Synthesis Based on First-Principles Theory 期刊论文
CHEMCATCHEM, 2019, 卷号: 11, 期号: 7, 页码: 1928-1934
Authors:  Zhang, Bing-Yan;  Su, Hai-Yan;  Liu, Jin-Xun;  Li, Wei-Xue
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Heterogeneous Catalysis  Density Functional Calculations  Iron  Kinetics  Ammonia synthesis