机构

• 力学研究所 [2]
• 武汉物理与数学研究所 [2]
• 金属研究所 [1]
• 长春光学精密机械与物... [1]
• 过程工程研究所 [1]
• 合肥物质科学研究院 [1]
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采集方式

• OAI收割 [8]

内容类型

• 期刊论文 [8]

发表日期

• 2024 [1]
• 2022 [1]
• 2019 [1]
• 2016 [1]
• 2015 [2]
• 2013 [1]
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学科主题

• Biochemist... [1]
• Biophysics [1]
• Chemistry [1]
• Computer S... [1]

筛选

浏览/检索结果: 共8条，第1-8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 First-principles study of helium incorporation in Pu-La2Zr2O7 pyrochlore 期刊论文  OAI收割 JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 2024, 页码: 12 作者:  Liu, Chenguang;  Gao, Rongrong;  Xia, Xiaoyi;  Yang, Kunjie;  Liu, Yuelin   |  收藏  |  浏览/下载：6/0  |  提交时间：2024/10/21 first-principles study  He interstitials  irradiation resistance  pyrochlores   Effects of oxygen concentration and irradiation defects on the oxidation corrosion of body-centered-cubic iron surfaces: A first-principles study 期刊论文  OAI收割 CHINESE PHYSICS B, 2022, 卷号: 31 作者:  Ye, Zhiqiang;  Lei, Yawei;  Zhang, Jingdan;  Zhang, Yange;  Li, Xiangyan   |  收藏  |  浏览/下载：32/0  |  提交时间：2022/12/23 oxidation corrosion  oxygen concentration  irradiation defects  bcc-Fe surfaces  first-principles study   First-principles study on OH-functionalized 2D electrides: Ca2NOH and Y2C(OH)(2), promising two-dimensional monolayers for metal-ion batteries 期刊论文  OAI收割 Applied Surface Science, 2019, 卷号: 478, 页码: 459-464 作者:  D.D.Wang;  H.B.Li;  L.L.Zhang;  Z.H.Sun;  D.X.Han   |  收藏  |  浏览/下载：23/0  |  提交时间：2020/08/24 OH-functionalized 2D electrides,Ca2NOH,Y2C(OH)(2),Adsorption and,diffusion of metal atoms,First-principles study,anode materials,na,electrons,surfaces,li,Chemistry,Materials Science,Physics   Structure and electronic properties of palladium chains supported by NiAl(110): A first-principles study 期刊论文  OAI收割 COMPUTATIONAL MATERIALS SCIENCE, 2016, 卷号: 124, 页码: 398-402 作者:  Wu, Ping;  Yin, Naiqiang;  Cheng, Wenjing;  Li, Peng;  Huang, Min 收藏  |  浏览/下载：25/0  |  提交时间：2016/12/12 Pd chains  First-principles study  Band of resonance states  Density of states (DOS)   Effects of alloying on oxidation and dissolution corrosion of the surface of gamma-Fe(111): a DFT study 期刊论文  OAI收割 JOURNAL OF MOLECULAR MODELING, 2015, 卷号: 21, 期号: 7, 页码: 181 作者:  Han, Cheng;  Zhang, Caili;  Liu, Xinglong;  Huang, Hui;  Zhuang, Shengyi 收藏  |  浏览/下载：70/0  |  提交时间：2015/09/22 gamma-Fe  Oxidation  Dissolution corrosion  Adsorption  Electrode potential  First-principles study   Enhanced Visible-Light Photocatalytic Activity of BiOI/BiOCl Heterojunctions: Key Role of Crystal Facet Combination 期刊论文  OAI收割 ACS CATALYSIS, 2015, 卷号: 5, 期号: 6, 页码: 3540-3551 作者:  Sun, Liming;  Xiang, Li;  Zhao, Xian;  Jia, Chun-Jiang;  Yang, Jun 收藏  |  浏览/下载：26/0  |  提交时间：2015/08/18 heterojunction photocatalysts  crystal facet engineering  internal electric fields  directional transfer of carriers  first-principles study   First-principles study of small palladium clusters on NiAl(110) alloy surface 期刊论文  OAI收割 PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, 2013, 卷号: 53, 页码: 7-13 作者:  Wu, Ping;  Cao, Gengyu;  Tang, Fuling;  Huang, Min 收藏  |  浏览/下载：18/0  |  提交时间：2015/06/23 Pd cluster  NiAl(110) surface  First-principles study  Density of states (DOS)  Magnetism   First-principles study on the geometry and stability of CO and hydrogen coadsorption on the Ni(111)2x2 surface 期刊论文  OAI收割 Chemical Physics, 2006, 卷号: 323, 期号: 2-3, 页码: 334-340 L. Xu; H. Y. Xiao; X. T. Zu 收藏  |  浏览/下载：15/0  |  提交时间：2012/04/14 first-principles study  CO  hydrogen  coadsorption  Ni(111)  density-functional theory  reflection-absorption spectroscopy  x-ray-diffraction  carbon-monoxide  chemisorbed co  ni(111)-c(4x2)-2co  structure  atmospheric-pressure  vibrational-spectra  adsorption sites  ni(110)