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Structural, electronic, and thermodynamic properties of curium dioxide: density functional theory calculations 期刊论文
Physical review b, 2017, 卷号: 96, 期号: 23, 页码: 13
作者:  Hou, Ling;  Li, Wei-Dong;  Wang, Fangwei;  Eriksson, Olle;  Wang, Bao-Tian
收藏  |  浏览/下载：33/0  |  提交时间：2019/04/23
Structural and magnetic properties of FeGen-/0 (n=3-12) clusters: Mass-selected anion photoelectron spectroscopy and density functional theory calculations 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 147, 期号: 23
作者:  Deng, Xiao-Jiao;  Kong, Xiang-Yu;  Liang, Xiaoqing;  Yang, Bin;  Xu, Hong-Guang
收藏  |  浏览/下载：30/0  |  提交时间：2019/06/20
Structural, electronic, and elastic properties of equiatomic uzr alloys from first-principles 期刊论文
Journal of nuclear materials, 2017, 卷号: 496, 页码: 333-342
作者:  Zhang, Cheng-Bin;  Li, Xiu-Ping;  Li, Wei-Dong;  Zhang, Ping;  Yin, Wen
收藏  |  浏览/下载：28/0  |  提交时间：2019/04/23
Half-Metallicity in Co-Doped WSe2 Nanoribbons 期刊论文
AMER CHEMICAL SOC, 2017, 卷号: 9, 期号: 44, 页码: 38796-38801
作者:  Xu, Runzhang;  Liu, Bilu;  Zou, Xiaolong;  Cheng, Hui-Ming;  Zou, XL (reprint author), Tsinghua Univ, Tsinghua Berkeley Shenzhen Inst, Low Dimens Mat & Devices Lab, Shenzhen 518055, Guangdong, Peoples R China.
收藏  |  浏览/下载：22/0  |  提交时间：2018/01/10
Site preference, structural and magnetic properties of la3co29-xnixsi4b10 predicted by first-principles calculations 期刊论文
Computational materials science, 2017, 卷号: 138, 页码: 412-418
作者:  Ren, Jie;  Wang, Xiaoxu
收藏  |  浏览/下载：23/0  |  提交时间：2019/05/09
First principle study of electronic structures and optical absorption properties of O and S doped graphite phase carbon nitride (g-C3N4)(6) quantum dots 期刊论文
ACTA PHYSICA SINICA, 2017, 卷号: 66, 页码: 11
作者:  Zhai Shun-Cheng;  Guo Ping;  Zheng Ji-Ming;  Zhao Pu-Ju;  Suo Bing-Bing
收藏  |  浏览/下载：30/0  |  提交时间：2018/05/31
Sc-decorated porous graphene for high-capacity hydrogen storage: First-principles calculations 期刊论文
Materials, 2017, 卷号: 10, 期号: 8
作者:  Chen, Yuhong;  Wang, Jing;  Yuan, Lihua;  Zhang, Meiling;  Zhang, Cairong
收藏  |  浏览/下载：4/0  |  提交时间：2020/11/14
Sc-Decorated Porous Graphene for High-Capacity Hydrogen Storage: First-Principles Calculations 期刊论文
MATERIALS, 2017, 卷号: 10, 期号: 8
作者:  Chen, Yuhong;  Wang, Jing;  Yuan, Lihua;  Zhang, Meiling;  Zhang, Cairong
收藏  |  浏览/下载：13/0  |  提交时间：2019/11/15
Terahertz spectroscopy and solid-state density functional theory calculations of structural isomers: Nicotinic acid, isonicotinic acid and 2-picolinic acid 期刊论文
modern physics letters b, 2017, 卷号: 31, 期号: 13
作者:  Ding, Ling;  Fan, Wen-Hui;  Chen, Xu;  Chen, Ze-You;  Song, Chao
收藏  |  浏览/下载：61/0  |  提交时间：2017/06/14
HCl dissociating on a rigid Au(111) surface: A six-dimensional quantum mechanical study on a new potential energy surface based on the RPBE functional 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 146, 期号: 16
作者:  Fu, Bina;  Liu, Tianhui;  Zhang, Dong H.
收藏  |  浏览/下载：13/0  |  提交时间：2017/10/29

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