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CORC

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Theoretical insights into the hydrophobicity of low index CeO2 surfaces 期刊论文
APPLIED SURFACE SCIENCE, 2019, 卷号: 478, 页码: 68-74
作者:  Fronzi, Marco;  Assadi, M. Hussein N.;  Hanaor, Dorian A. H.
收藏  |  浏览/下载：9/0  |  提交时间：2019/11/19
Electronic Structure and Optical Absorption Spectra of C–Cr Co‐Doped Anatase TiO Based on First Principles 期刊论文
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2018, 卷号: Vol.255 No.6
作者:  Liu, C;  Song, YM;  Yu, XH;  Liu, JX;  Deng, JS
收藏  |  浏览/下载：4/0  |  提交时间：2019/12/26
Electronic Structures and Magnetism of Rutile TiO2 with Vacancy Defects from First Principles: GGA plus U Calculations 期刊论文
JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM, 2017, 卷号: 30, 期号: 1, 页码: 243-249
作者:  Yang J(杨静);  Guo, XT;  Yang, J
收藏  |  浏览/下载：19/0  |  提交时间：2019/08/27
Exploring electronic and optical properties of CH3NH3GeI3 perovskite: Insights from the first principles 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2017, 卷号: 1114, 页码: 20-24
作者:  Jiao, Yuqiu;  Lv, Yuanyuan;  Li, Jia;  Niu, Mang;  Yang, Zhenqing
收藏  |  浏览/下载：3/0  |  提交时间：2020/01/03
高电压正极材料Li1-xCoO2 (x = 0.75) 的电子结构 学位论文
2016, 2016
林妹
收藏  |  浏览/下载：33/0  |  提交时间：2017/06/20
First-principles generalized gradient approximation (GGA) plus U studies of electronic structure and optical properties in cubic ZrO2 期刊论文
SOLID STATE COMMUNICATIONS, 2015, 卷号: 211, 页码: 38-42
作者:  Li, JP;  Lu, HT;  Li, YH;  Meng, SH;  Zhang, YM
收藏  |  浏览/下载：3/0  |  提交时间：2017/01/13
LDA plus U/GGA plus U calculations of structural and electronic properties of CdTe: Dependence on the effective U parameter 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2015, 卷号: 98, 期号: [db:dc_citation_issue], 页码: 18-23
作者:  Wu, Yelong;  Chen, Guangde;  Zhu, Youzhang;  Yin, Wan-Jian;  Yan, Yanfa
收藏  |  浏览/下载：4/0  |  提交时间：2019/12/02
Ferromagnetic half-metallic characteristic and phase transition in rare-earth Yb doped SiC: A GGA plus U study 期刊论文
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2014, 卷号: 352, 页码: 61-65
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收藏  |  浏览/下载：4/0  |  提交时间：2015/05/25
First-principles generalized gradient approximation (GGA) + U-d + U-p studies of electronic structures and optical properties in cubic HfO2 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2014, 卷号: 81, 页码: 397-401
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收藏  |  浏览/下载：3/0  |  提交时间：2015/05/25
Detailed check of the LDA plus U and GGA plus U corrected method for defect calculations in wurtzite ZnO 期刊论文
Computer Physics Communications, 2012, 卷号: 183, 期号: 8, 页码: 1749-1752
G. Y. Huang; C. Y. Wang; J. T. Wang
收藏  |  浏览/下载：11/0  |  提交时间：2013/02/05

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