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Structural isomer and high-yield of Pt1Ag28 nanocluster via one-pot chemical wet method 期刊论文
NANO RESEARCH, 2019, 卷号: 12, 期号: 2, 页码: 309-314
Authors:  Lin, Xinzhang;  Liu, Chao;  Sun, Keju;  Wu, Ren'an;  Fu, Xuemei;  Huang, Jiahui
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Pt1Ag28 nanocluster  one-pot synthesis  structural isomerization  high yield  strong fluorescence  
Role of ReOx Species in Ni-Re/Al2O3 Catalyst for Amination of Monoethanolamine 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2018, 卷号: 122, 期号: 40, 页码: 23011-23025
Authors:  Ma, Lei;  Sun, Keju;  Luo, Mi;  Yan, Li;  Jiang, Zheng;  Lu, An-Hui;  Ding, Yunjie
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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  
Xantphos doped Rh/POPs-PPh3 catalyst for highly selective long-chain olefins hydroformylation: Chemical and DFT insights into Rh location and the roles of Xantphos and PPh3 期刊论文
JOURNAL OF CATALYSIS, 2017, 卷号: 353, 页码: 123-132
Authors:  Li, Cunyao;  Sun, Keju;  Wang, Wenlong;  Yan, Li;  Sun, Xueping;  Wang, Yuqing;  Xiong, Kai;  Zhan, Zhuangping;  Jiang, Zheng;  Ding, Yunjie
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Heterogeneous Hydroformylation  Long-chain Olefins  Porous Organic Polymers  Linear-regioselectivity  
Xantphos doped Rh/POPs-PPh3 catalyst for highly selective long-chain olefins hydroformylation: Chemical and DFT insights into Rh location and the roles of Xantphos and PPh3 期刊论文
JOURNAL OF CATALYSIS, 2017, 卷号: 353, 页码: 123-132
Authors:  Li, Cunyao;  Sun, Keju;  Wang, Wenlong;  Yan, Li;  Sun, Xueping;  Wang, Yuqing;  Xiong, Kai;  Zhan, Zhuangping;  Jiang, Zheng;  Ding, Yunjie
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Heterogeneous Hydroformylation  Long-chain Olefins  Porous Organic Polymers  Linear-regioselectivity  
First-principles study of structure sensitivity of chain growth and selectivity in Fischer-Tropsch synthesis using HCP cobalt catalysts 期刊论文
CATALYSIS SCIENCE & TECHNOLOGY, 2017, 卷号: 7, 期号: 14, 页码: 2967-2977
Authors:  Su, Hai-Yan;  Zhao, Yonghui;  Liu, Jin-Xun;  Sun, Keju;  Li, Wei-Xue
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Theoretical Insights and the Corresponding Construction of Supported Metal Catalysts for Highly Selective CO2 to CO Conversion 期刊论文
ACS CATALYSIS, 2017, 卷号: 7, 期号: 7, 页码: 4613-4620
Authors:  Chen, Xiaodong;  Su, Xiong;  Su, Hai-Yan;  Liu, Xiaoyan;  Miao, Shu;  Zhao, Yonghui;  Sun, Keju;  Huang, Yanqiang;  Zhang, Tao
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Co2 Conversion  Rwgs Reaction  Supported Metal Catalysts  Theoretical Insights  Selectivity  
Theoretical Insights and the Corresponding Construction of Supported Metal Catalysts for Highly Selective CO2 to CO Conversion 期刊论文
ACS CATALYSIS, 2017, 卷号: 7, 期号: 7, 页码: 4613-4620
Authors:  Chen, Xiaodong;  Su, Xiong;  Su, Hai-Yan;  Liu, Xiaoyan;  Miao, Shu;  Zhao, Yonghui;  Sun, Keju;  Huang, Yanqiang;  Zhang, Tao
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Co2 Conversion  Rwgs Reaction  Supported Metal Catalysts  Theoretical Insights  Selectivity  
Establishing and Understanding Adsorption-Energy Scaling Relations with Negative Slopes 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2016, 卷号: 7, 期号: 24, 页码: 5302-5306
Authors:  Su, Hai-Yan;  Sun, Keju;  Wang, Wei-Qi;  Zeng, Zhenhua;  Calle-Vallejo, Federico;  Li, Wei-Xue
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Theoretical investigations on CO oxidation reaction catalyzed by gold nanoparticles 期刊论文
CHINESE JOURNAL OF CATALYSIS, 2016, 卷号: 37, 期号: 10, 页码: 1608-1618
Authors:  Sun, Keju
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Carbon Monoxide Oxidation Reaction  Gold Nanoparticle  Reaction Mechanism  Theoretical Calculation  Relativistic Effect