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Theoretical study of charge-transport and optical properties of indeno[1,2-b] fluorene-6,12-dione-based semiconducting materials 期刊论文
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 2018, 卷号: 74, 页码: 705-711
Authors:  Huang, Jin-Dou;  Zhao, Jinfeng;  Yu, Kun;  Huang, Xiaohua;  Cheng, Shi-Bo;  Ma, Huipeng
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indeno[1,2-b] fluorene-6,12-dione-based molecules  intrinsic hole mobility  intrinsic electron mobility  electronic spectra  density functional theory (DFT)  structure-function relationship  
Development of Nb35Mo5Ti30Ni30 alloy membrane for hydrogen separation applications 期刊论文
JOURNAL OF MEMBRANE SCIENCE, 2018, 卷号: 553, 页码: 171-179
Authors:  Liu, Dongmei;  Li, Xinzhong;  Geng, Huiyuan;  Chen, Ruirun;  Rettenmayr, Markus;  Su, Yanqing;  Li, Hui;  Guo, Jingjie;  Fu, Hengzhi
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Hydrogen Separation  Membrane  Nb35mo5ti30ni30 Alloy  
Theoretical investigation of twisted charge-transfer-promoted intramolecular proton transfer in the excited state of 4 '-dimethylaminoflavonol in a highly polar solvent 期刊论文
JOURNAL OF LUMINESCENCE, 2018, 卷号: 194, 页码: 785-790
Authors:  Tang, Zhe;  Yang, Yunfan;  Yang, Yi;  Wang, Yi;  Tian, Jing;  Fei, Xu
Favorite  |  View/Download:3/0  |  Submit date:2019/06/20
Excited-state Intramolecular Proton Transfer  Hydrogen Bond  Twisted Intramolecular Charge Transfer  Reduced Density Gradient  Potential-energy Curve  
Solvent controlling excited state proton transfer reaction in quinoline/isoquinoline-pyrazole isomer QP-I: A theoretical study 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2018, 卷号: 31, 期号: 1
Authors:  Yang, Dapeng;  Yang, Guang;  Zhao, Jinfeng;  Song, Nahong;  Zheng, Rui;  Wang, Yusheng
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Excited State Proton Transfer  Frontier Molecular Orbitals  Intramolecular Hydrogen Bond  Potential Energy Curves  
Combined TDDFT and AIM Insights into Photoinduced Excited State Intramolecular Proton Transfer (ESIPT) Mechanism in Hydroxyl-and Amino-Anthraquinone Solution 期刊论文
SCIENTIFIC REPORTS, 2017, 卷号: 7
Authors:  Zheng, Daoyuan;  Zhang, Mingzhen;  Zhao, Guangjiu
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Combined TDDFT and AIM Insights into Photoinduced Excited State Intramolecular Proton Transfer (ESIPT) Mechanism in Hydroxyl-and Amino-Anthraquinone Solution 期刊论文
SCIENTIFIC REPORTS, 2017, 卷号: 7
Authors:  Zheng, Daoyuan;  Zhang, Mingzhen;  Zhao, Guangjiu
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Charge-transfer mobility and electrical conductivity of PANI as conjugated organic semiconductors 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 147, 期号: 11
Authors:  Zhang, Yahong;  Duan, Yuping;  Song, Lulu;  Zheng, Daoyuan;  Zhang, Mingxing;  Zhao, Guangjiu
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Charge-transfer mobility and electrical conductivity of PANI as conjugated organic semiconductors 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 147, 期号: 11
Authors:  Zhang, Yahong;  Duan, Yuping;  Song, Lulu;  Zheng, Daoyuan;  Zhang, Mingxing;  Zhao, Guangjiu
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Experimental investigation and theoretical exploration of single-atom electrocatalysis in hybrid photovoltaics: The powerful role of Pt atoms in triiodide reduction 期刊论文
NANO ENERGY, 2017, 卷号: 39, 页码: 1-8
Authors:  Liang, Suxia;  Qiao, Botao;  Song, Xuedan;  Hao, Ce;  Wang, Aiqin;  Zhang, Tao;  Shi, Yantao
Favorite  |  View/Download:48/0  |  Submit date:2017/12/19
Single-atom Electrocatalysis  Photovoltaics  Counter Electrodes  Density Function Theory  
Experimental investigation and theoretical exploration of single-atom electrocatalysis in hybrid photovoltaics: The powerful role of Pt atoms in triiodide reduction 期刊论文
NANO ENERGY, 2017, 卷号: 39, 页码: 1-8
Authors:  Liang, Suxia;  Qiao, Botao;  Song, Xuedan;  Hao, Ce;  Wang, Aiqin;  Zhang, Tao;  Shi, Yantao
Favorite  |  View/Download:42/0  |  Submit date:2017/12/19
Single-atom Electrocatalysis  Photovoltaics  Counter Electrodes  Density Function Theory