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Carbon Monoxide Activation on Cobalt Carbide for Fischer-Tropsch Synthesis from First-Principles Theory 期刊论文
ACS CATALYSIS, 2019, 卷号: 9, 期号: 9, 页码: 8093-8103
Authors:  Chen, Pei-Pei;  Liu, Jin-Xun;  Li, Wei-Xue
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CO dissociation  cobalt carbide  phase diagram  DFT calculation  active phase  Fischer-Tropsch synthesis  
Single Ru Sites-Embedded Rutile TiO2 Catalyst for Non-Oxidative Direct Conversion of Methane: A First-Principles Study 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 卷号: 123, 期号: 23, 页码: 14391-14397
Authors:  Ma, Xiufang;  Sun, Keju;  Liu, Jin-Xun;  Li, Wei-Xue;  Cai, Xingmin;  Su, Hai-Yan
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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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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  
First-principles kinetics study of carbon monoxide promoted Ostwald ripening of Au particles on FeO/Pt(111) 期刊论文
JOURNAL OF ENERGY CHEMISTRY, 2019, 卷号: 30, 页码: 108-113
Authors:  Hu, Sulei;  Ouyang, Runhai;  Li, Wei-Xue
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Carbon monoxide  Au particles  Ostwald ripening  First-principles kinetics  FeO/Pt(111)  
大连极紫外相干光源 期刊论文
中国激光, 2019, 卷号: 000, 期号: 001, 页码: 43
Authors:  余永;  李钦明;  杨家岳;  王光磊;  史磊;  丁洪利;  陶凯;  汤振兴;  贺志刚;  陈志超;  田宇欢;  戴东旭;  吴国荣;  张未卿;  杨学明;  冯超;  陈思;  王震;  谷端;  陈杰;  刘晓庆;  兰太和;  冯冽;  张文艳;  钟少鹏;  张俊强;  李林;  肖诚成;  李昊;  赵欢;  陈广花;  朱海君;  丁建国;  黄毛毛;  张伟;  赖龙伟;  杨夫彬;  王光宏;  相升旺;  胡晓;  刘以勇;  孙森;  高飞;  蒋志强;  周孝轩;  刘永芳;  吴勇华;  陈志豪;  王锐萍;  黄大章;  张猛;  邓海啸;  李宾;  林国强;  俞路阳;  阎映炳;  阎山川;  夏晓彬;  周巧根;  刘波;  顾强;  谷鸣;  方国平;  冷用斌;  殷立新;  王东;  赵振堂
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Energy-Transfer Processes of Xe (6p[1/2](0), 6p[3/2](2), and 6p[5/2](2)) Atoms under the Condition of Ultrahigh Pumped Power 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2018, 卷号: 31, 期号: 6, 页码: 741-748
Authors:  He, Shan;  Chu, Jun-zhi;  Liu, Dong;  Li, Xue-yang;  Guo, Jing-wei;  Liu, Jin-bo;  Hu, Shu;  Li, Hui;  Wang, Peng-yuan;  Chen, Ying;  Sang, Feng-ting;  Jin, Yu-qi
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Energy-pooling  Kinetics  Xe  Ultrahigh pumped power  
Metal-Free Nitrogen- and Boron-Codoped Mesoporous Carbons for Primary Amides Synthesis from Primary Alcohols via Direct Oxidative Dehydrogenation 期刊论文
ACS CATALYSIS, 2018, 卷号: 8, 期号: 11, 页码: 9936-9944
Authors:  Shang, Sensen;  Chen, Pei-Pei;  Wang, Lianyue;  Lv, Ying;  Li, Wei-Xue;  Gao, Shuang
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N,B-codoped carbon  mesoporous carbon  primary amides  oxidative dehydrogenation  DFT calculations  
Structures and stability of adsorbed methanol on TiO2 (110) surface studied by ab initio thermodynamics and kinetic Monte Carlo simulation 期刊论文
THEORETICAL CHEMISTRY ACCOUNTS, 2018, 卷号: 137, 期号: 10, 页码: 8
Authors:  Sun, Keju;  Su, Hai-Yan;  Li, Wei-Xue
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Methanol adsorption  TiO2 (110) surface  Ab initio thermodynamics  Kinetic Monte Carlo  Temperature-programmed desorption simulation  
Theoretical Investigation of Metal-Support Interactions on Ripening Kinetics of Supported Particles 期刊论文
CHEMNANOMAT, 2018, 卷号: 4, 期号: 5, 页码: 510-517
Authors:  Hu, Sulei;  Li, Wei-Xue
Favorite  |  View/Download:2/0  |  Submit date:2019/06/20
Ostwald Ripening  Metal Support Interaction  Kinetics  Nanoparticles