机构

• 金属研究所 [16]
• 宁波材料技术与工程... [14]
• 合肥物质科学研究院 [6]
• 生态环境研究中心 [4]
• 理论物理研究所 [2]
• 上海药物研究所 [2]
• 更多

采集方式

• OAI收割 [56]

内容类型

• 期刊论文 [56]

发表日期

• 2021 [56]

学科主题

• Physics [1]
• Science & ... [1]

筛选

浏览/检索结果: 共56条，第1-10条 帮助 限定条件 发表日期：2021     条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择提交时间升序提交时间降序题名升序题名降序作者升序作者降序发表日期升序发表日期降序 Structural stability and mechanical properties of B2 ordered refractory AlNbTiVZr high entropy alloys 期刊论文  OAI收割 JOURNAL OF ALLOYS AND COMPOUNDS, 2021, 卷号: 886, 页码: 8 作者:  Qiu, Shi;  Chen, Shu-Ming;  Naihua, Naihua;  Zhou, Jian;  Hu, Qing-Miao   |  收藏  |  浏览/下载：121/0  |  提交时间：2021/11/22 Local chemical ordering  High entropy alloy  First-principles calculations  Mechanical properties   Structural stability and mechanical properties of B2 ordered refractory AlNbTiVZr high entropy alloys 期刊论文  OAI收割 JOURNAL OF ALLOYS AND COMPOUNDS, 2021, 卷号: 886, 页码: 8 作者:  Qiu, Shi;  Chen, Shu-Ming;  Naihua, Naihua;  Zhou, Jian;  Hu, Qing-Miao   |  收藏  |  浏览/下载：124/0  |  提交时间：2021/11/22 Local chemical ordering  High entropy alloy  First-principles calculations  Mechanical properties   hcp-phased Ni nanoparticles with generic catalytic hydrogenation activities toward different functional groups 期刊论文  OAI收割 SCIENCE CHINA-MATERIALS, 2021 作者:  Lv, Yang;  Mao, Xin;  Gong, Wanbing;  Wang, Dongdong;  Chen, Chun   |  收藏  |  浏览/下载：58/0  |  提交时间：2022/02/14 crystal phase engineering  hcp-phased Ni nano-particles  catalytic hydrogenation  DFT calculations  H2O solvent   Computational Auxiliary for the Progress of Sodium-Ion Solid-State Electrolytes 期刊论文  OAI收割 ACS NANO, 2021, 卷号: 15 作者:  Yang, Kaishuai;  Liu, Dayong;  Qian, Zhengfang;  Jiang, Dongting;  Wang, Renheng   |  收藏  |  浏览/下载：23/0  |  提交时间：2022/03/21 sodium-ion solid-state electrolytes  all-solid-state sodium batteries  computational auxiliary  ab initio calculations  molecular dynamics simulations  nanoscale insight  ion transport mechanisms  sodium-ion conductor   Chemo-, Regio-, and Stereoselective Assembly of Polysubstituted Furan-2(5H)-ones Enabled by Rh(III)-Catalyzed Domino C-H Alkenylation/Directing Group Migration/Lactonization: A Combined Experimental and Computational Study 期刊论文  OAI收割 ACS CATALYSIS, 2021, 卷号: 11, 期号: 22, 页码: 13921-13934 作者:  Zhao, Fei;  Zhou, Zhi;  Lu, Yangbin;  Qiao, Jin;  Zhang, Xiaoning   |  收藏  |  浏览/下载：32/0  |  提交时间：2022/06/15 rhodium(III) catalysis  C-H activation  domino reaction  furan-2(5H)-ones  5-hydroxyfuran-2(5H)-ones  DFT calculations   A parallel orbital-updating based optimization method for electronic structure calculations 期刊论文  OAI收割 JOURNAL OF COMPUTATIONAL PHYSICS, 2021, 卷号: 445, 页码: 17 作者:  Dai, Xiaoying;  Liu, Zhuang;  Zhang, Xin;  Zhou, Aihui   |  收藏  |  浏览/下载：20/0  |  提交时间：2022/04/02 Density functional theory  Electronic structure calculations  Kohn-Sham energy functional minimization problem  Parallel orbital-updating  Optimization method   Unraveling surface functionalization of Cr2B2T2 (T = OH, O, Cl, H) MBene by first-principles calculations 期刊论文  OAI收割 COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 199, 页码: 7 作者:  Hu, Tao;  Wang, Mengting;  Wang, Xiaohui;  Zhou, Yanchun;  Li, Changming   |  收藏  |  浏览/下载：85/0  |  提交时间：2021/11/22 Two-dimensional materials  Surface functionalization  Stability  MBene  First-principles calculations   Influence of Alloy Atoms on Substitution Properties of Hydrogen by Helium in ZrCoH3 期刊论文  OAI收割 MATERIALS, 2021, 卷号: 14 作者:  Wang, Panpan;  Cao, Qilong;  You, Yuwei;  Kong, Xiangshan;  Wu, Xuebang   |  收藏  |  浏览/下载：47/0  |  提交时间：2022/01/10 ZrCo alloys  disproportionation reaction  fixing helium  ab initio calculations   Review of micro-scale and atomic-scale corrosion mechanisms of second phases in aluminum alloys 期刊论文  OAI收割 TRANSACTIONS OF NONFERROUS METALS SOCIETY OF CHINA, 2021, 卷号: 31, 期号: 11, 页码: 3205-3227 作者:  Ji, Yuan-yuan;  Xu, Yun-ze;  Zhang, Bin-bin;  Behnamian, Yashar;  Xia, Da-hai   |  收藏  |  浏览/下载：41/0  |  提交时间：2022/02/18 Al alloys  corrosion  dealloying  first principles calculations   Interaction between Al and other alloying atoms in alpha-Ti for designing high temperature titanium alloy 期刊论文  OAI收割 COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 197, 页码: 11 作者:  Cao, Shuo;  Zhang, Shang-Zhou;  Liu, Jian-Rong;  Li, Shu-Jun;  Sun, Tao   |  收藏  |  浏览/下载：123/0  |  提交时间：2021/10/15 Titanium alloys  Thermal strength  Thermal stability  Interaction energy  First principles calculations