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New insights into the surface relaxation and oxidation of chalcopyrite exposed to O-2 and H2O: A first-principles DFT study 期刊论文
Applied Surface Science, 2019, 卷号: 492, 页码: 89-98
作者:  Wei, Zhenlun;  Li, Yubiao*;  Gao, Huimin;  Zhu, Yangge;  Qian, Gujie
收藏  |  浏览/下载：3/0  |  提交时间：2019/12/04
Effect of interlayer cations on exfoliating 2D montmorillonite nanosheets with high aspect ratio: From experiment to molecular calculation 期刊论文
CERAMICS INTERNATIONAL, 2019, 卷号: 45, 期号: 14, 页码: 17054-17063
作者:  Bai, Haoyu;  Zhao, Yunliang*;  Wang, Wei;  Zhang, Tingting;  Yi, Hao
收藏  |  浏览/下载：32/0  |  提交时间：2019/12/04
Strain Effects in Gallium Nitride Adsorption on Defective and Doped Graphene: First-Principles Calculations 期刊论文
Crystals, 2018, 卷号: 8, 期号: 2
作者:  Yan, Han;  Ku, Pei-Cheng;  Gan, Zhi-Yin*;  Liu, Sheng*;  Li, Peng
收藏  |  浏览/下载：6/0  |  提交时间：2019/12/04
Mechanism foramorphization of boron carbide under complex stress conditions 期刊论文
MATERIALS RESEARCH EXPRESS, 2018, 卷号: 5, 期号: 5
作者:  Li, Jun;  Xu, Shuang;  Liu, Lisheng*;  Wang, Zhen;  Zhang, Jinyong
收藏  |  浏览/下载：5/0  |  提交时间：2019/12/04
First-principles study of alloying effects on fluorine incorporation in AlxGa1-xN alloys 期刊论文
Journal of Physics D: Applied Physics, 2018, 卷号: 51, 期号: 6
作者:  Wang, Rong*;  Tan, Wei*;  Zhang, Jian;  Chen, Feng-Xiang;  Wei, Su-Huai*
收藏  |  浏览/下载：3/0  |  提交时间：2019/12/04
First-Principles Study on the Tensile Properties and Failure Mechanism of the CoSb3/Ti Interface 期刊论文
Journal of Electronic Materials, 2018, 卷号: 47, 期号: 6, 页码: 3210-3217
作者:  She, Wuchang;  Liu, Qiwen;  Mei, Hai;  Zhai, Pengcheng;  Li, Jun
收藏  |  浏览/下载：5/0  |  提交时间：2019/12/04
Design lateral heterostructure of monolayer ZrS2and HfS2from first principles calculations 期刊论文
Applied Surface Science, 2018, 卷号: 436, 页码: 919-926
作者:  Yuan, Junhui;  Yu, Niannian;  Wang, Jiafu;  Xue, Kan-Hao*;  Miao, Xiangshui
收藏  |  浏览/下载：3/0  |  提交时间：2019/12/04
Stability of direct band gap under mechanical strains for monolayer MoS2, MoSe2, WS2 and WSe2 期刊论文
Physica E: Low-Dimensional Systems and Nanostructures, 2018, 卷号: 101, 页码: 44-49
作者:  Deng, Shuo;  Li, Lijie*;  Li, Min
收藏  |  浏览/下载：3/0  |  提交时间：2019/12/04
Uncovering the influence of common nonmetallic impurities on the stability and strength of a Σ5 (310) grain boundary in Cu 期刊论文
Acta Materialia, 2018, 卷号: 148, 页码: 110-122
作者:  Huang, Zhifeng;  Chen, Fei*;  Shen, Qiang;  Zhang, Lianmeng;  Rupert, Timothy J.*
收藏  |  浏览/下载：3/0  |  提交时间：2019/12/04
Electronic, optical and mechanical properties of SrSi6N8 and SrSi6N8O via first-principles 期刊论文
RSC Advances, 2017, 卷号: 7, 期号: 15, 页码: 8779-8785
作者:  Huang, Zhifeng;  Chen, Fei*;  Zhang, Jianwen;  Shen, Qiang;  Zhang, Lianmeng（张联盟）
收藏  |  浏览/下载：6/0  |  提交时间：2019/12/04

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