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Exploring adsorption behavior and oxidation mechanism of mercury on monolayer Ti2CO2 (MXenes) from first principles 期刊论文
APPLIED SURFACE SCIENCE, 2019, 卷号: Vol.464, 页码: 53-60
作者:  Gao, Xiaoping;  Zhou, Yanan;  Tan, Yujia;  Cheng, Zhiwen;  Yang, Bowen
收藏  |  浏览/下载：13/0  |  提交时间：2019/02/25
Correction to: Strain-modulated mechanical, electronic, and thermal transport properties of two-dimensional PdS from first-principles investigations 期刊论文
Applied Physics A, 2019, 卷号: Vol.125 No.1
作者:  Yang-Shun Lan;  Qing Lu;  Cui-E Hu;  Xiang-Rong Chen;  Qi-Feng Chen
收藏  |  浏览/下载：7/0  |  提交时间：2019/02/25
Structural phases arising from reconstructive and isostructural transitions in high-melting-point oxides under hydrostatic pressure: A first-principles study 期刊论文
Physical Review B, 2018, 卷号: Vol.97 No.2, 页码: 020103(R)
作者:  Hao Tian;  Xiao-Yu Kuang;  Ai-Jie Mao;  Yurong Yang;  Changsong Xu
收藏  |  浏览/下载：5/0  |  提交时间：2019/02/25
First principles study of ceramic materials (IVB group carbides) under ultrafast laser irradiation. 期刊论文
Chinese Physics B, 2018, 卷号: Vol.27 No.3, 页码: 1
作者:  Nan-Lin He;  Xin-Lu Cheng;  Hong Zhang;  Gai-Qin Yan;  Jia Zhang
收藏  |  浏览/下载：4/0  |  提交时间：2019/02/25
Suppressing heating rate-dependent martensitic stabilization in ductile Cu-Al-Mn shape memory alloys by Ni addition: An experimental and first-principles study 期刊论文
MATERIALS CHARACTERIZATION, 2018, 卷号: Vol.145, 页码: 381-388
作者:  Yang, Q.;  Yin, D. Q.;  Ge, J. Q.;  Chen, J.;  Wang, S. L.
收藏  |  浏览/下载：8/0  |  提交时间：2019/02/25
Structural, elastic, electronic and thermodynamic properties of ZrB2 under high-pressure: First-principle study 期刊论文
INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 2018, 卷号: Vol.32 No.16
作者:  Zhang, Guo;  Zhao, Yu-Xin;  Zhu, Jun;  Hao, Yan-Jun;  Zhang, Lin
收藏  |  浏览/下载：10/0  |  提交时间：2019/02/25
First-principles calculations of structural, electronic, magnetic, elastic and optical properties of tetragonal zircon-type CeVO4 期刊论文
INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 2018, 卷号: Vol.32 No.22
作者:  Chen, Wen-Qi;  Wang, Hao;  Mu, Yi;  Hu, Cui-E;  Cheng, Yan
收藏  |  浏览/下载：4/0  |  提交时间：2019/02/25
First-Principles Calculations for Structural, Elastic, Electronic and Thermodynamic Properties of HfZn2 under Pressure 期刊论文
ACTA PHYSICA POLONICA A, 2018, 卷号: Vol.133 No.5, 页码: 1299-1306
作者:  Li, GJ;  Shi, LT;  Hu, CE;  Cheng, Y;  Ji, GF
收藏  |  浏览/下载：6/0  |  提交时间：2019/02/25
Anisotropic Diffusion of a Charged Tritium Interstitial in Li2TiO3 from First-Principles Calculations 期刊论文
PHYSICAL REVIEW APPLIED, 2018, 卷号: Vol.10 No.2
作者:  Shi, Yanli;  Qi, Jianqi;  Han, Yong;  Lu, Tiecheng
收藏  |  浏览/下载：3/0  |  提交时间：2019/02/25
Structural, electronic, dynamical and thermodynamic properties of Ca(PO)(OH) and Sr(PO)(OH): First-principles study 期刊论文
International Journal of Hydrogen Energy, 2018
作者:  Zhihong Yuan;  Shichang Li;  Junchao Liu;  Xianggang Kong;  Tao Gao
收藏  |  浏览/下载：8/0  |  提交时间：2019/02/25

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