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浏览/检索结果: 共12条，第1-10条 帮助 限定条件 发表日期：2016    专题：中南大学    第一署名单位    第一作者单位    通讯作者单位     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 Molybdenum Disulfide‐Coated Lithium Vanadium Fluorophosphate Anode: Experiments and First‐Principles Calculations 期刊论文 ChemSusChem, 2016, 卷号: 9, 期号: 16, 页码: 2122-2128 作者:  Liu, Zhaomeng;  Peng, Wenjie;  Xu, Zhenming;  Shih, Kaimin;  Wang, Jiexi* 收藏  |  浏览/下载：2/0  |  提交时间：2019/12/03 batteries  first-principle calculations  vanadium fluorophosphates  molybdenum  surface modifications   Competition between Hexagonal and Tetragonal Hexabromobenzene Packing on Au(111) 期刊论文 ACS Nano, 2016, 卷号: 10, 期号: 3, 页码: 3198-3205 作者:  Huang, Han*;  Tan, Zhiyu;  He, Yanwei;  Liu, Jian;  Sung, Jiatao 收藏  |  浏览/下载：3/0  |  提交时间：2019/12/03 Au(111)-22x radical3  DFT calculations  LT-STM  halogen bonding  molecular arrangement   Effects of pressure on anisotropic elastic properties and minimum thermal conductivity of D022-Ni3Nb phase: First-principles calculations 期刊论文 Journal of Alloys and Compounds, 2016, 卷号: 688, 页码: 285-293 作者:  Lin, Y. C.*;  Luo, Shun-Cun;  Chen, Ming-Song;  He, Dao-Guang;  Zhao, Chun-Yang 收藏  |  浏览/下载：2/0  |  提交时间：2019/12/03 First-principles calculations  Ni3Nb phase  Elastic properties  Elastic anisotropy  Minimum thermal conductivity   Change of electrostatic potential of mean force between two curved surfaces due to different salt composition, ion valence and size under certain ionic strength 期刊论文 Journal of Physics and Chemistry of Solids, 2016, 卷号: 89, 页码: 53-61 作者:  Zhou, Shiqi* 收藏  |  浏览/下载：1/0  |  提交时间：2019/12/03 C. ab initio calculations  D. thermodynamic properties   Effects of the volume changes and elastic-strain energies on the phase transition in the Li-Sn battery 期刊论文 Journal of Power Sources, 2016, 卷号: 330, 页码: 111-119 作者:  Zhang, Fan;  Wang, Jianchuan*;  Liu, Shuhong;  Du, Yong 收藏  |  浏览/下载：4/0  |  提交时间：2019/12/03 Sn anodes  First-principles calculations  Phase transition  Elastic-strain energies   Effects of the volume changes and elastic-strain energies on the phase transition in the Li-Sn battery 期刊论文 Journal of Power Sources, 2016, 卷号: 330, 页码: 111-119 作者:  Zhang, Fan;  Wang, Jianchuan*;  Liu, Shuhong;  Du, Yong 收藏  |  浏览/下载：4/0  |  提交时间：2019/12/03 Sn anodes  First-principles calculations  Phase transition  Elastic-strain energies   Remarkably enhanced dehydrogenation properties and mechanisms of MgH2 by sequential-doping of nickel and graphene 期刊论文 International Journal of Hydrogen Energy, 2016, 卷号: 41, 期号: 39, 页码: 17433-17441 作者:  Zhang, J.*;  Qu, H.;  Wu, G.*;  Song, L. B.;  Yu, X. F. 收藏  |  浏览/下载：11/0  |  提交时间：2019/12/03 Magnesium hydride  Dehydrogenation properties  Carbon materials  Transition metals  Sequential-doping  First-principles calculations   Grain growth and hardness of TiC-based cermets: Experimental investigation and thermodynamic calculations 期刊论文 Ceramics International, 2016, 卷号: 42, 期号: 16, 页码: 19289-19295 作者:  Zhang, Cong;  Du, Yong*;  Zhou, Shuzhu;  Peng, Yingbiao;  Wang, Jiong 收藏  |  浏览/下载：3/0  |  提交时间：2019/12/03 A. Sintering  B. Grain size  C. Hardness  D. Carbides   Solubilities of grain-growth inhibitors in WC-Co-based cemented carbides: Thermodynamic calculations compared to experimental data 期刊论文 International Journal of Refractory Metals and Hard Materials, 2016, 卷号: 61, 页码: 121-127 作者:  Peng, Yingbiao;  Buchegger, Christoph;  Lengauer, Walter*;  Du, Yong*;  Zhou, Peng 收藏  |  浏览/下载：2/0  |  提交时间：2019/12/03 Thermodynamic calculations  Electron-probe microanalysis  Cemented carbides  Model alloys  Solubility  Grain-growth inhibitor  eta phase   First-principles studies of electronic,optical,and mechanical properties of γ-Bi2Sn2O7 期刊论文 Chinese Physics B, 2016, 卷号: 25, 期号: 6, 页码: 067801-1-067801-5 作者:  Hu, Chao-Hao*;  Yin, Xue-Hui;  Wang, Dian-Hui;  Zhong, Yan;  Zhou, Huai-Ying 收藏  |  浏览/下载：1/0  |  提交时间：2019/12/03 g-Bi_2Sn_2O_7  electronic structure  optical properties  first-principle calculations