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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.;  Zhao, Z (reprint author), China Univ Petr, State Key Lab Heavy Oil Proc, Beijing 102249, Peoples R China.
收藏  |  浏览/下载：133/0  |  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  
Nonplanar distortions and strain energies of polycyclic aromatic hydrocarbons 期刊论文
Journal of Physical Chemistry B, 2006, 卷号: 110, 期号: 10, 页码: 4563-4568
作者:  C. H. Sun;  G. Q. Lu;  H. M. Cheng
收藏  |  浏览/下载：113/0  |  提交时间：2012/04/14
Orbital Axis Vector  Carbon Bond Activation  Molecules  Fullerenes  Complexes