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  • 半导体物理 [41]
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Petascale orbital-free density functional theory enabled by small-box algorithms 期刊论文  OAI收割
journal of chemical theory and computation, 2016, 卷号: 12, 期号: 6, 页码: 2950-2963
Mohan Chen; Xiang-Wei Jiang; Houlong Zhuang; Lin-Wang Wang; Emily A. Carter
收藏  |  浏览/下载:12/0  |  提交时间:2017/03/16
Efficient Real-Time Time-Dependent Density Functional Theory Method and its Application to a Collision of an Ion with a 2D Material 期刊论文  OAI收割
physical review letters, 2015, 卷号: 114, 期号: 6, 页码: 063004
Zhi Wang; Shu-Shen Li; Lin-Wang Wang
收藏  |  浏览/下载:25/0  |  提交时间:2016/04/08
Adsorption and diffusion of Pb(II) on the kaolinite(001) surface: A density-functional theory study 期刊论文  OAI收割
applied clay science, Applied Clay Science, 2013, 2013, 卷号: 85, 85, 期号: 1, 页码: 74-79, 74-79
作者:  
He, Man-Chao;  Zhao, Jian
  |  收藏  |  浏览/下载:9/0  |  提交时间:2014/04/28
Defect properties of CuCrO2: A density functional theory calculation 期刊论文  OAI收割
chinese physics b, CHINESE PHYSICS B, 2012, 2012, 卷号: 21, 21, 期号: 8, 页码: 087105, 087105
作者:  
Fang ZJ (Fang Zhi-Jie);  Zhu JZ (Zhu Ji-Zhen);  Zhou J (Zhou Jiang);  Mo M (Mo Man)
  |  收藏  |  浏览/下载:17/0  |  提交时间:2013/04/02
Adsorption and dissociation of H2O on Zr(0001) with density-functional theory studies 期刊论文  OAI收割
journal of nuclear materials, JOURNAL OF NUCLEAR MATERIALS, 2012, 2012, 卷号: 424, 424, 期号: 2012-1-3, 页码: 51-56, 51-56
作者:  
Wang, SX;  Zhang, P;  Zhao, J;  Li, SS
  |  收藏  |  浏览/下载:15/0  |  提交时间:2013/03/17
Density functional theory study on transparent conductive oxide CuScO2 期刊论文  OAI收割
acta physica sinica, ACTA PHYSICA SINICA, 2012, 2012, 卷号: 61, 61, 期号: 22, 页码: 227401, 227401
作者:  
Fang Zhi-Jie;  Mo Man;  Zhu Ji-Zhen;  Yang Hao
  |  收藏  |  浏览/下载:13/0  |  提交时间:2013/10/10
Native p-type transparent conductive CuI via intrinsic defects 期刊论文  OAI收割
journal of applied physics, JOURNAL OF APPLIED PHYSICS, 2011, 2011, 卷号: 110, 110, 期号: 5, 页码: 54907, 54907
作者:  
Wang J;  Li JB;  Li SS;  Li, JB (reprint author), Chinese Acad Sci, Inst Semicond, State Key Lab Superlattices & Microstruct, POB 912, Beijing 100083, Peoples R China, jbli@semi.ac.cn
  |  收藏  |  浏览/下载:35/0  |  提交时间:2012/01/06
Surface alloy formation of noble adatoms adsorbed on Si(111)-root 3 x root 3-Pb surface: a first-principles study 期刊论文  OAI收割
journal of physics-condensed matter, JOURNAL OF PHYSICS-CONDENSED MATTER, 2011, 2011, 卷号: 23, 23, 期号: 26, 页码: art. no. 265001, Art. No. 265001
作者:  
Li C;  Wang F;  Sun Q;  Jia Y
  |  收藏  |  浏览/下载:89/7  |  提交时间:2011/07/07
First principles study of p-type doping in SiC nanowires: role of quantum effect 期刊论文  OAI收割
journal of nanoparticle research, JOURNAL OF NANOPARTICLE RESEARCH, 2011, 2011, 卷号: 13, 13, 期号: 7, 页码: 2887-2892, 2887-2892
作者:  
Wang ZG;  Xue SW;  Li JB;  Gao F
  |  收藏  |  浏览/下载:45/4  |  提交时间:2011/07/07
First principles study of the electronic properties of twinned SiC nanowires 期刊论文  OAI收割
journal of nanoparticle research, JOURNAL OF NANOPARTICLE RESEARCH, 2011, 2011, 卷号: 13, 13, 期号: 1, 页码: 185-191, 185-191
作者:  
Wang ZG;  Wang SJ;  Zhang CL;  Li JB;  Wang, ZG, Univ Elect Sci & Technol China. , Dept Appl Phys, Chengdu 610054, Peoples R China. zgwang@uestc.edu.cn
  |  收藏  |  浏览/下载:100/6  |  提交时间:2011/07/05