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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
Favorite  |  View/Download:1/0  |  Submit date:2019/07/26
Theoretical elaboration about the excited state dynamical behaviors for a novel fluorescent sensor 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 5, 页码: 7
Authors:  Zhang, Tianjie;  Zhang, Qiaoli;  Lu, Xuemei;  Jia, Min;  Song, Xiaoyan;  Yang, Dapeng
Favorite  |  View/Download:3/0  |  Submit date:2019/06/20
charge redistribution  ESIPT  intramolecular hydrogen bond  potential energy curves  
Computational understanding of the structural and electronic properties of the GeS-graphene contact 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 14, 页码: 7447-7453
Authors:  Chen, Hong;  Zhao, Jinfeng;  Huang, Jindou;  Liang, Yan
Favorite  |  View/Download:2/0  |  Submit date:2019/06/20
Optimizing both the CoMo/Al2O3 catalyst and the technology for selectivity enhancement in the hydrodesulfurization of FCC gasoline 期刊论文
APPLIED CATALYSIS A-GENERAL, 2019, 卷号: 575, 页码: 187-197
Authors:  Zhang, Cen;  Liu, Xinyi;  Liu, Tiefeng;  Jiang, Zongxuan;  Li, Can
Favorite  |  View/Download:5/0  |  Submit date:2019/06/20
CoMo/Al2O3  MoS2 morphology tuning  Recombination mercaptan  Selective HDS  FCC gasoline  
Theoretical exploration about excited state proton transfer mechanism for a series of phenol-quinoline compounds 期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 卷号: 66, 期号: 4, 页码: 371-376
Authors:  Zhang, Tianjie;  Yang, Guang;  Jia, Min;  Song, Xiaoyan;  Yang, Dapeng
Favorite  |  View/Download:2/0  |  Submit date:2019/06/25
ESIPT  intramolecular hydrogen bond  IR spectra  MOs  potential energy curves  
Sequential growth of hierarchical N-doped carbon-MoS2 nanocomposites with variable nanostructures 期刊论文
JOURNAL OF MATERIALS CHEMISTRY A, 2019, 卷号: 7, 期号: 11, 页码: 6197-6204
Authors:  Liu, Qinglong;  Shi, Haodong;  Yang, Tianyu;  Yang, Yan;  Wu, Zhong-Shuai;  Yu, Jianqiang;  Silva, S. Ravi P.;  Liu, Jian
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The theoretical study about the ESIPT mechanism for 2,4-bis(benzooxazol-2 '-yl)hydroquinone: Single or double? 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 3, 页码: 8
Authors:  Hao, Jiaojiao;  Yang, Yang
Favorite  |  View/Download:3/0  |  Submit date:2019/06/20
double  ESIPT mechanism  intramolecular hydrogen bond  single  TDDFT  
Unveiling exceptionally robust valley contrast in AA- and AB-stacked bilayer WS2 期刊论文
NANOSCALE HORIZONS, 2019, 卷号: 4, 期号: 2, 页码: 396-403
Authors:  Wang, Yanlong;  Cong, Chunxiao;  Shang, Jingzhi;  Eginligil, Mustafa;  Jin, Yuqi;  Li, Gang;  Chen, Yu;  Peimyoo, Namphung;  Yu, Ting
Favorite  |  View/Download:2/0  |  Submit date:2019/06/20
Insights into the excited state dynamical process for 3-hydroxy-2-(5-(5-(5-(3-hydroxy-4-oxo-4H-chromen-2-yl)thiophen-2-yl)thiophen-2-yl)thiophen-2-yl)-4H-chromen-4-one 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 3, 页码: 8
Authors:  Wang, Yusheng;  Yang, Guang;  Jia, Min;  Song, Xiaoyan;  Zhang, Qiaoli;  Yang, Dapeng
Favorite  |  View/Download:3/0  |  Submit date:2019/06/20
charge density difference  charge redistribution  ESIPT  intramolecular hydrogen bond  
CoMo/Al2O3 catalysts prepared by tailoring the surface properties of alumina for highly selective hydrodesulfurization of FCC gasoline 期刊论文
APPLIED CATALYSIS A-GENERAL, 2019, 卷号: 570, 页码: 84-95
Authors:  Zhang, Cen;  Brorson, Michael;  Li, Ping;  Liu, Xinyi;  Liu, Tiefeng;  Jiang, Zongxuan;  Li, Can
Favorite  |  View/Download:2/0  |  Submit date:2019/06/20
Selective hydrodesulfurization  Alumina  Metal-support interaction  MoS(2)morphology tuning  Fluid catalytic cracking gasoline