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Surface Assistant Charge Separation in PEC Cu2S-Ni/Cu2O Cathode 期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2019, 卷号: 11, 期号: 37, 页码: 34000-34009
Authors:  Zhang, Wan;  Chen, Ruotian;  Yin, Zhiguang;  Wang, Xinyu;  Wang, Zenglin;  Fan, Fengtao;  Ma, Yi
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photoelectrocatalysis  H-2 evolution  cuprous oxide  charge dynamics  surface charge separation  
Interwoven Molecular Chains Obtained by Ionic Self-Assembly of Two Iron(III) Porphyrins with Opposite and Mismatched Charges 期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2019, 卷号: 11, 期号: 37, 页码: 34203-34211
Authors:  Xie, Yan;  Zhong, Qinglu;  Lv, Yang;  Li, Jia;  Hao, Zhiqiang;  Tang, Chizhou;  Wei, Xuming;  Su, Yang;  Huang, Jiahui;  Wang, Anjie;  Guo, Xinwen;  Wang, Junhu;  Li, Guohui;  Song, Yujiang
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porphyrin  electrocatalysts  ionic self-assembly  oxygen reduction reaction  molecular dynamics simulation  
Direct diabatization and analytic representation of coupled potential energy surfaces and couplings for the reactive quenching of the excited (2)sigma(+) state of OH by molecular hydrogen 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 151, 期号: 10, 页码: 25
Authors:  Shu, Yinan;  Kryven, Joanna;  Sampaio de Oliveira-Filho, Antonio Gustavo;  Zhang, Linyao;  Song, Guo-Liang;  Li, Shaohong L.;  Meana-Paeda, Ruben;  Fu, Bina;  Bowman, Joel M.;  Truhlar, Donald G.
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Theoretical insights into elaborating and regulating excited state dynamics for the novel 6-cyano-2-(2 '-hydroxyphenyl)imidazo[1,2a]pyridine system in polar and nonpolar solvents 期刊论文
MOLECULAR PHYSICS, 2019, 页码: 9
Authors:  Xu, Lei;  Zhang, Qiaoli;  Zhang, Tianjie;  Yang, Dapeng
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Intramolecular hydrogen bond  ESIPT  charge density difference  charge redistribution  solvent polarity  
Water Oxidation Catalysts for Artificial Photosynthesis 期刊论文
ADVANCED MATERIALS, 2019, 页码: 33
Authors:  Ye, Sheng;  Ding, Chunmei;  Liu, Mingyao;  Wang, Aoqi;  Huang, Qinge;  Li, Can
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artificial photosynthesis  heterogeneous catalysis  homogeneous catalysis  natural photosynthesis  water oxidation catalysts  
Open Project of SKLMRD-K2019 (Open Project of the State Key Laboratory of Molecular Reaction Dynamics) 项目
资助机构: Open Project of SKLMRD-K2019 (Open Project of the State Key Laboratory of Molecular Reaction Dynamics), 2019-
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A theoretical study of the ESIPT mechanism of 3-hydroxyflavone derivatives: solvation effect and the importance of TICT for its dual fluorescence properties 期刊论文
ORGANIC CHEMISTRY FRONTIERS, 2019, 卷号: 6, 期号: 17, 页码: 3136-3143
Authors:  Qi, Yutai;  Lu, Meiheng;  Wang, Yi;  Tang, Zhe;  Gao, Ziqing;  Tian, Jing;  Fei, Xu;  Li, Yao;  Liu, Jianyong
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Unimolecular Reaction Rate Measurement of syn-CH3CHOO 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2019, 卷号: 10, 期号: 17, 页码: 4817-4821
Authors:  Zhou, Xiaohu;  Liu, Yiqiang;  Dong, Wenrui;  Yang, Xueming
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A theoretical exploration and regulating about the excited state process for 2-(4-(diphenylamino)phenyl)-3-hydroxy-4H-chromen-4-one system 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 页码: 8
Authors:  Wang, Yusheng;  Zhang, Qiaoli;  Xu, Kai;  Jiang, Weifen;  Yang, Dapeng
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charge transfer  ESIPT  intramolecular hydrogen bond  solvent polarity  
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