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First-principles study of electronic structure, optical and phonon properties of α-ZrW2O8 期刊论文
SOLID STATE COMMUNICATIONS, 2016, 卷号: 247, 页码: 58-63
作者:  Li, Jinping;  Meng, Songhe;  Qin, Liyuan;  Lu, Hantao
收藏  |  浏览/下载:146/0  |  提交时间:2017/01/13
Density functional theory study of alpha-cyanoacrylic acid adsorbed on rutile TiO2(110) surface 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2016, 卷号: 1095, 页码: 125-133
作者:  Zhang, Yang;  Zhang, Cai-Rong;  Wang, Wei;  Gong, Ji-Jun;  Liu, Zi-Jiang
收藏  |  浏览/下载:3/0  |  提交时间:2019/11/15
Conjugated or Broken: The Introduction of Isolation Spacer ahead of the Anchoring Moiety and the Improved Device Performance 期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2016, 卷号: 8, 期号: 42, 页码: 28652-28662
作者:  Chai, Zhaofei;  Wan, Sushu;  Zhong, Cheng;  Xu, Ting;  Fang, Manman
收藏  |  浏览/下载:35/0  |  提交时间:2016/12/29
Semiconductor/Piezoelectrics Hybrid Heterostructures with Highly Effective Gate-Tunable Electrotransport and Magnetic Behaviors 期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2016, 卷号: 8, 期号: 40, 页码: 26932-26937
作者:  Chen, Lei;  Zhao, Wei-Yao;  Wang, Ding;  Gao, Guan-Yin;  Zhang, Jin-Xing
收藏  |  浏览/下载:23/0  |  提交时间:2017/02/24
A comparative study of porphyrin dye sensitizers YD2-o-C8, SM315 and SM371 for solar cells: the electronic structures and excitation-related properties 期刊论文
European Physical Journal D, 2016, 卷号: 70, 期号: 10
作者:  Li, Xing-Yu;  Zhang, Cai-Rong;  Yuan, Li-Hua;  Zhang, Mei-Ling;  Chen, Yu-Hong
收藏  |  浏览/下载:5/0  |  提交时间:2022/02/18
First-Principle Study on Compensated Half Metallic Double Perovskite Compound Ba2PrVO6 期刊论文
Journal of Superconductivity and Novel Magnetism, 2016, 卷号: 30, 期号: 2, 页码: 545-554
作者:  Gao, Qiang;  Ma, Run-Yu;  Li, Lei;  Xie, Huan-Huan;  Deng, Jian-Bo
收藏  |  浏览/下载:8/0  |  提交时间:2017/01/13
Half-metallic ferromagnetism of RbSe and CsTe compounds: A density functional theory study 期刊论文
Chemical Physics Letters, 2016, 卷号: 661, 页码: 89-93
作者:  Xie, Huan-Huan;  Ma, Run-Yu;  Gao, Qiang;  Li, Lei;  Deng, Jian-Bo
收藏  |  浏览/下载:4/0  |  提交时间:2017/01/13
Phase stability, electronic structure and equation of state of cubic TcN from first-principles calculations 期刊论文
PHYSICS LETTERS A, 2016, 卷号: 380, 期号: 38, 页码: 3144-3148
作者:  Song, T.;  Ma, Q.;  Sun, X. W.;  Liu, Z. J.;  Fu, Z. J.
收藏  |  浏览/下载:0/0  |  提交时间:2019/11/15
Ni0.37Co0.63S2-reduced graphene oxide nanocomposites for highly efficient electrocatalytic oxygen evolution and photocatalytic pollutant degradation 期刊论文
Journal of Solid State Electrochemistry, 2016, 卷号: 21, 期号: 1, 页码: 183-192
作者:  Shao, Yubo;  du, Jing;  Li, Hua;  Zhao, Yongqing;  Xu, Cailing
收藏  |  浏览/下载:3/0  |  提交时间:2017/01/12
Recent developments in the ABINIT software package 期刊论文
COMPUTER PHYSICS COMMUNICATIONS, 2016, 卷号: 205, 页码: 106-131
作者:  Gonze, X.;  Jollet, F.;  Araujo, F. Abreu;  Adams, D.;  Amadon, B.
收藏  |  浏览/下载:27/0  |  提交时间:2018/07/30


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