机构

• 金属研究所 [19]
• 福建物质结构研究所 [4]
• 化学研究所 [3]
• 数学与系统科学研究院 [2]
• 大连化学物理研究所 [2]
• 力学研究所 [1]
• 更多

采集方式

• OAI收割 [35]

内容类型

• 期刊论文 [35]

发表日期

• 2021 [1]
• 2018 [1]
• 2017 [1]
• 2016 [1]
• 2014 [3]
• 2013 [2]
• 更多

学科主题

• Chemistry [1]
• Physics [1]

筛选

浏览/检索结果: 共35条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择题名升序题名降序提交时间升序提交时间降序作者升序作者降序发表日期升序发表日期降序 Iron-modulated nickel cobalt phosphide embedded in carbon to boost power density of hybrid sodium-air battery 期刊论文  OAI收割 APPLIED CATALYSIS B-ENVIRONMENTAL, 2021, 卷号: 285, 页码: 11 作者:  Kang, Yao;  Wang, Shuo;  Zhu, Siqi;  Gao, Haixing;  Hui, Kwan San   |  收藏  |  浏览/下载：68/0  |  提交时间：2021/04/07 Iron doping  Nickel cobalt phosphide  Electronic structure reformation  DFT calculation  Hybrid sodium-air battery   A SEMISMOOTH NEWTON METHOD FOR SEMIDEFINITE PROGRAMS AND ITS APPLICATIONS IN ELECTRONIC STRUCTURE CALCULATIONS 期刊论文  OAI收割 SIAM JOURNAL ON SCIENTIFIC COMPUTING, 2018, 卷号: 40, 期号: 6, 页码: A4131-A4157 作者:  Li, Yongfeng;  Wen, Zaiwen;  Yang, Chao;  Yuan, Ya-Xiang   |  收藏  |  浏览/下载：21/0  |  提交时间：2019/03/05 semidefinite programming  ADMM  semismooth Newton method  electronic structure calculation  two-body reduced density matrix   Properties of single-layer graphene with supercell doped by one defect only 期刊论文  OAI收割 INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 2017, 卷号: 31, 期号: 27, 页码: 1750196 作者:  Qin, SJ;  Wang, CL;  Wang, ZG (reprint author), Chinese Acad Sci, Comp Network Informat Ctr, Beijing 100190, Peoples R China.;  Wang, ZG   |  收藏  |  浏览/下载：25/0  |  提交时间：2017/12/21 Graphene  First Principles Calculation  Defect  Magnetic Property  Electronic Structure   Recent developments in the ABINIT software package 期刊论文  OAI收割 COMPUTER PHYSICS COMMUNICATIONS, 2016, 卷号: 205, 页码: 106-131 作者:  Gonze, X.;  Jollet, F.;  Araujo, F. Abreu;  Adams, D.;  Amadon, B.   |  收藏  |  浏览/下载：35/0  |  提交时间：2018/07/30 First-principles calculation  Electronic structure  Density Functional Theory  Many-Body Perturbation Theory   First-principles studies of hydrogen behavior interacting with oxygen-enriched nanostructured particles in the ODS steels 期刊论文  OAI收割 International Journal of Hydrogen Energy, 2014, 卷号: 39, 期号: 32, 页码: 18506-18519 W. W. Xing; X. Q. Chen; P. T. Liu; X. Wang; P. C. Zhang; D. Z. Li; Y. Y. Li 收藏  |  浏览/下载：27/0  |  提交时间：2015/01/14 ODS steels  Nanocluster  Oxygen-vacancy  Hydrogen cluster  First-principles calculation  dispersion-strengthened steels  enhanced localized plasticity  brillouin-zone integrations  initio molecular-dynamics  total-energy  calculations  augmented-wave method  oxide particles  ferritic alloys  electronic-structure  delayed-fracture   Structural, electronic and elastic properties of AlFe2B2: First-principles study 期刊论文  OAI收割 Computational Materials Science, 2014, 卷号: 92, 页码: 253-257 Y. Cheng; Z. L. Lv; X. R. Chen; L. C. Cai 收藏  |  浏览/下载：24/0  |  提交时间：2015/01/14 Electronic structure  Elastic properties  First principles calculation  AlFe2B2  population analysis  superhard materials  doped feal  alloys  behavior  fracture  boron   First-principles calculations on structural and electronic properties of Al18Mg3M2 phases (M = Sc, Ti, Cr, Mn and Zr) 期刊论文  OAI收割 Optoelectronics and Advanced Materials-Rapid Communications, 2014, 卷号: 8, 期号: 9-10, 页码: 916-920 X. M. Du; Z. B. Dong; P. Ma; E. D. Wu 收藏  |  浏览/下载：29/0  |  提交时间：2015/01/14 Al18Mg3M2 compounds  First-principle calculation  Stability  Electronic  structure  brillouin-zone integrations  scandium  systems   Optical and Electrical Properties of Triphenylamine Derivatives for Dye-sensitized Solar Cells and Designing of Novel Molecule 期刊论文  OAI收割 CHEMICAL RESEARCH IN CHINESE UNIVERSITIES, 2013, 卷号: 29, 期号: 3, 页码: 584-588 作者:  Chen Jun;  Wang Ming   |  收藏  |  浏览/下载：9/0  |  提交时间：2019/04/09 Molecular Design  Time-dependent Density Functional Theory  Dye-sensitized Solar Cell  Electronic Structure Calculation   Electronic structure and optical properties of the nonlinear optical crystal Pb4O(BO3)(2) by first-principles calculations 期刊论文  OAI收割 JOURNAL OF SOLID STATE CHEMISTRY, 2013, 卷号: 198, 期号: 2, 页码: 77-80 作者:  Yang Zhihua;  Pan Shilie;  Yu Hongwei;  Lee Ming-Hsien 收藏  |  浏览/下载：25/0  |  提交时间：2013/11/07 First-principles calculation  Nonlinear optical crystal  Electronic structure  Optical property  Lone pair   First-principles study on the (111) surface of half-metallic rocksalt VPo 期刊论文  OAI收割 Solid State Communications, 2012, 卷号: 152, 期号: 14, 页码: 1244-1248 J. M. K. Al-zyadi; G. Y. Gao; K. L. Yao 收藏  |  浏览/下载：23/0  |  提交时间：2013/02/05 Electronic band structure  Magnetic properties  Half-metallic  ferromagnetism  First-principles calculation  ferromagnetism  stability  cr  temperature