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First principles study on interface between dual-channel anchorable organic dyes and TiO2 for dye-sensitized solar cells 期刊论文
DYES AND PIGMENTS, 2018, 卷号: 149, 页码: 908-914
作者:  Zhang, Weiyi[1];  Wu, Jiajia[2];  Wen, Yaping[3];  Wu, Wenpeng[4];  Wang, Li[5]
收藏  |  浏览/下载:5/0  |  提交时间:2019/12/23
Quantum effect enhanced magnetism of C-doped phosphorene nanoribbons: first-principles calculations 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017, 卷号: 19, 期号: 41, 页码: 28354-28359
作者:  Cai, Xiaolin[1];  Niu, Chunyao[2];  He, Yuan-Yao[3];  Wang, Jianjun[4];  Zhu, Zhili[5]
收藏  |  浏览/下载:13/0  |  提交时间:2019/12/23
Hf/Sb co-doping induced a high thermoelectric performance of ZrNiSn: First-principles calculation 期刊论文
SCIENTIFIC REPORTS, 2017, 卷号: 7, 期号: 1, 页码: 14590
作者:  Zhang, Ju[1];  Zhang, Xiwen[2];  Wang, Yuanxu[3]
收藏  |  浏览/下载:4/0  |  提交时间:2019/12/23
Investigation on native defects of alpha-MgAgSb and its effects on thermoelectric properties using first principles calculations 期刊论文
CURRENT APPLIED PHYSICS, 2017, 卷号: 17, 期号: 10, 页码: 1279-1287
作者:  Pang, Zhuoyi[1];  Zhang, Xiwen[2];  Wang, Chao[3]
收藏  |  浏览/下载:4/0  |  提交时间:2019/12/23
First-Principles and Molecular Dynamics on A-D(II)-A Type Sensitizers for Dye-Sensitized Solar Cells: Effects of Various Anchoring Groups on Electronic Coupling and Dye Aggregation 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2017, 卷号: 121, 期号: 26, 页码: 14019-14026
作者:  Wen, Yaping[1];  Yang, Huiqing[2];  Zheng, Danning[3];  Sun, Kenan[4];  Wang, Li[5]
收藏  |  浏览/下载:2/0  |  提交时间:2019/12/23
Giant Piezoelectric Effects in Monolayer Group-V Binary Compounds with Honeycomb Phases: A First-Principles Prediction 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2017, 卷号: 121, 期号: 45, 页码: 25576-25584
作者:  Yin, Huabing[1];  Gao, Jingwei[2];  Zheng, Guang-Ping[3];  Wang, Yuanxu[4];  Ma, Yuchen[5]
收藏  |  浏览/下载:22/0  |  提交时间:2019/12/23
Interaction of O-2 with monolayer MoS2: Effect of doping and hydrogenation 期刊论文
MATERIALS & DESIGN, 2017, 卷号: 113, 页码: 1-8
作者:  Zhao, B.[1];  Liu, L. L.[2];  Cheng, G. D.[3];  Li, T.[4];  Qi, N.[5]
收藏  |  浏览/下载:3/0  |  提交时间:2019/12/23
Strain induced quantum spin Hall insulator in monolayer beta-BiSb from first-principles study 期刊论文
RSC ADVANCES, 2017, 卷号: 7, 期号: 44, 页码: 27816-27822
作者:  Yu, Weiyang[1];  Niu, Chun-Yao[2];  Zhu, Zhili[3];  Cai, Xiaolin[4];  Zhang, Liwei[5]
收藏  |  浏览/下载:13/0  |  提交时间:2019/12/23
Adsorption and dissociation of O-2 on Ni-doped (5,5) SWCNT: A DFT study 期刊论文
APPLIED SURFACE SCIENCE, 2016, 卷号: 370, 页码: 6-10
作者:  Li, Xiaodong[1];  Liu, Liangliang[2];  Wang, Mingguang[3];  Wang, Zhu[4]
收藏  |  浏览/下载:1/0  |  提交时间:2019/12/23
Origin of high thermoelectric performance of FeNb1-xZr/HfxSb1-ySny alloys: A first-principles study 期刊论文
SCIENTIFIC REPORTS, 2016, 卷号: 6, 页码: 33120
作者:  Zhang Xiwen[1];  Wang Yuanxu[2];  Yan Yuli[3];  Wang Chao[4];  Zhang Guangbiao[5]
收藏  |  浏览/下载:9/0  |  提交时间:2019/12/23


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