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浏览/检索结果: 共7条，第1-7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 Hollow cobalt phosphide octahedral pre-catalysts with exceptionally high intrinsic catalytic activity for electro-oxidation of water and methanol 期刊论文 JOURNAL OF MATERIALS CHEMISTRY A, 2018, 卷号: 6, 期号: 42, 页码: 20646-20652 作者:  Xu, JY;  Liu, YF;  Li, JJ;  Amorim, I;  Zhang, BS 收藏  |  浏览/下载：28/0  |  提交时间：2018/12/25 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   Electrochemically driven conversion reaction in fluoride electrodes for energy storage devices 期刊论文 NPJ COMPUTATIONAL MATERIALS, 2018, 卷号: 4 作者:  Li, Chilin;  Chen, Keyi;  Zhou, Xuejun;  Maier, Joachim 收藏  |  浏览/下载：24/0  |  提交时间：2018/12/28 The tunable effect of nitrogen and boron dopants on a single walled carbon nanotube support on the catalytic properties of a single gold atom catalyst: a first principles study of CO oxidation 期刊论文 ROYAL SOC CHEMISTRY, 2017, 卷号: 5, 期号: 32, 页码: 16653-16662 作者:  Ali, Sajjad;  Liu, Tianfu;  Lian, Zan;  Li, Bo;  Su, Dang Sheng 收藏  |  浏览/下载：20/0  |  提交时间：2018/01/10 Revealing the Role of sp(2)@sp(3) Structure of Nanodiamond in Direct Dehydrogenation: Insight from DFT study 期刊论文 ACS CATALYSIS, 2017, 卷号: 7, 期号: 6, 页码: 3779-3785 Liu, TianFu; Ali, Sajjad; Li, Bo; Su, Dang Sheng 收藏  |  浏览/下载：19/0  |  提交时间：2017/08/17 nanodiamond  dehydrogenation  isobutane  DFT  sp(2)@sp(3) core-shell   The synergy effect and reaction pathway in the oxygen reduction reaction on the sulfur and nitrogen dual doped graphene catalyst 期刊论文 CHEMICAL PHYSICS LETTERS, 2017, 卷号: 677, 页码: 65-69 Song, Jian; Liu, TianFu; Ali, Sajjad; Li, Bo; Su, DangSheng 收藏  |  浏览/下载：21/0  |  提交时间：2017/08/17 ORR  Doping  Spin density   A theoretical study of the ion pair S(N)2 reaction between lithium isocyanates with methyl fluoride with inversion and retention mechanism 期刊论文 JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2004, 卷号: 686, 期号: 1-3, 页码: 65-70 作者:  Zhu, HJ;  Ren, Y;  Ren, J 收藏  |  浏览/下载：11/0  |  提交时间：2012/10/12 cyanate and isocyanate  ion pair S(N)2 reaction  ab initio  inversion and retention mechanism