Ab initio molecular dynamics studies on the mechanisms of oxygen reduction on a Pt(111) surface.

被引:0
|
作者
Wang, YX [1 ]
Balbuena, PB [1 ]
机构
[1] Univ S Carolina, Swearingen Engn Ctr, Dept Chem Engn, Columbia, SC 29208 USA
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
334-PHYS
引用
收藏
页码:U320 / U320
页数:1
相关论文
共 50 条
  • [1] Combined ab initio and ab initio molecular dynamics studies on the oxygen reduction reaction on Pt surface
    Wang, Yixuan
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2006, 231
  • [2] Study of oxygen reduction reaction mechanism on Pt (111) by ab initio molecular dynamics calculations
    He, Yang
    Chen, Changfeng
    Yu, Haobo
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2015, 250
  • [3] AB INITIO CLUSTER STUDY OF THE CHEMISORPTION OF OXYGEN ON AN ALUMINIUM (111) SURFACE.
    Broer, R.
    Batra, Inder P.
    Bagus, P.S.
    Philosophical Magazine B: Physics of Condensed Matter; Electronic, Optical and Magnetic Properties, 1985, 51 (02): : 243 - 254
  • [4] Vibrational Dynamics of Sulfate Anion Adsorption on Pt(111) Surface: Ab Initio Molecular Dynamics Simulations
    Qian, Yumin
    Ikeshoji, Tamio
    Zhao, Yuan-yuan
    Otani, Minoru
    CHEMELECTROCHEM, 2014, 1 (10): : 1632 - 1635
  • [5] Ab initio study of molecular oxygen adsorption on Pu (111) surface
    Huda, MN
    Ray, AK
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2005, 105 (03) : 280 - 291
  • [6] Direct reaction of adsorbed molecular oxygen with hydrazine on a clean Pt(111) surface.
    Ranney, JT
    Gland, JL
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1996, 211 : 225 - COLL
  • [7] Propylene oxidation in oxygen pressures on the Pt(111) surface.
    Gabelnick, AM
    Capitano, AT
    Burnett, DJ
    Gland, JL
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1999, 217 : U692 - U692
  • [8] Ab initio molecular dynamics simulations of the O2/Pt(111) interaction
    Gross, Axel
    CATALYSIS TODAY, 2016, 260 : 60 - 65
  • [9] Ab initio studies of hydrogen and oxygen chemisorptions on the cubic BN(111) surface
    Yang, SW
    Loh, KP
    Wu, P
    SURFACE SCIENCE, 2005, 599 (1-3) : 128 - 140
  • [10] Ab Initio Molecular Dynamics Simulation of Ethylene Reaction on Nickel (111) Surface
    Arifin, Rizal
    Shibuta, Yasushi
    Shimamura, Kohei
    Shimojo, Fuyuki
    Yamaguchi, Shu
    JOURNAL OF PHYSICAL CHEMISTRY C, 2015, 119 (06): : 3210 - 3216