QQ客服 官方微博 反馈留言

浏览/检索结果: 共4条，第1-4条 帮助 限定条件 学科主题：Chemistry, Physical     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 Direct Determination of Atomic Structure and Magnetic Coupling of Magnetite Twin Boundaries 期刊论文 ACS NANO, 2018, 卷号: 12, 期号: 3, 页码: 2662-2668 作者:  Chen, CL;  Li, HP;  Seki, T;  Yin, DL;  Sanchez-Santolino, G 收藏  |  浏览/下载：23/0  |  提交时间：2018/06/05 Transmission Electron-microscopy  Differential Phase-contrast  Perovskite Manganite Films  Total-energy Calculations  Wave Basis-set  Resolution  Field  Anisotropy  Defects   First-principles study of the atomic and electronic properties of (100) stacking faults in BaSnO3 crystal 期刊论文 CHEMICAL PHYSICS LETTERS, 2018, 卷号: 694, 页码: 65-69 作者:  Xue, YB;  Wang, WY;  Guo, Y;  Guo, Y (reprint author), Anyang Inst Technol, Dept Chem & Environm Engn, Anyang 455000, Peoples R China. 收藏  |  浏览/下载：40/0  |  提交时间：2018/06/05 Total-energy Calculations  Augmented-wave Method  Doped Basno3  Ab-initio  Barium Stannate  1st Principles  Thin-films  Basis-set  Perovskite  Ceramics   Tunable Catalytic Performance of Single Pt Atom on Doped Graphene in Direct Dehydrogenation of Propane by Rational Doping: A Density Functional Theory Study 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY C, 2018, 卷号: 122, 期号: 3, 页码: 1570-1576 作者:  Sun, XY;  Han, P;  Li, B;  Zhao, Z;  Zhao, Z (reprint author), Shenyang Normal Univ, Inst Catalysis Energy & Environm, Coll Chem & Chem Engn, Shenyang 110034, Liaoning, Peoples R China. 收藏  |  浏览/下载：29/0  |  提交时间：2018/06/05 h Bond Activation  Nanostructured Carbon Catalysts  Total-energy Calculations  Augmented-wave Method  Heterogeneous Catalysis  1st Principles  Basis-set  Platinum  Reactivity  Surfaces   GW100: A Plane Wave Perspective for Small Molecules 期刊论文 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017, 卷号: 13, 期号: 2, 页码: 635-648 Maggio, Emanuele; Liu, Peitao; van Setten, Michiel J.; Kresse, Georg 收藏  |  浏览/下载：20/0  |  提交时间：2017/08/17