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作者:

Chen, Xin (Chen, Xin.) | Li, Fan (Li, Fan.) (学者:李钒) | Wang, Xiayan (Wang, Xiayan.) | Sun, Shaorui (Sun, Shaorui.) (学者:孙少瑞) | Xia, Dingguo (Xia, Dingguo.) (学者:夏定国)

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摘要:

A theoretical study of the oxygen reduction mechanism catalyzed by cobalt-polypyrrole is investigated in detail by means of density functional theory method using the BLYP/DZP basis set. The calculations suggest that the cobalt-polypyrrole has a platinum-like catalytic behavior based on the adsorption energetics of the reaction intermediates. The dicobalt polypyrrole catalyst exhibits a higher catalytic activity than that of mono-cobalt-polypyrrole, due to the fact that the PPy chains in di-cobalt-polypyrrole have a regular structure.

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作者机构:

  • [ 1 ] [Chen, Xin]Beijing Univ Technol, Coll Environm & Energy Engn, Beijing 100124, Peoples R China
  • [ 2 ] [Li, Fan]Beijing Univ Technol, Coll Environm & Energy Engn, Beijing 100124, Peoples R China
  • [ 3 ] [Wang, Xiayan]Beijing Univ Technol, Coll Environm & Energy Engn, Beijing 100124, Peoples R China
  • [ 4 ] [Sun, Shaorui]Beijing Univ Technol, Coll Environm & Energy Engn, Beijing 100124, Peoples R China
  • [ 5 ] [Xia, Dingguo]Peking Univ, Coll Engn, Beijing 100871, Peoples R China

通讯作者信息:

  • 孙少瑞

    [Sun, Shaorui]Beijing Univ Technol, Coll Environm & Energy Engn, Beijing 100124, Peoples R China

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来源 :

JOURNAL OF PHYSICAL CHEMISTRY C

ISSN: 1932-7447

年份: 2012

期: 23

卷: 116

页码: 12553-12558

3 . 7 0 0

JCR@2022

ESI学科: PHYSICS;

ESI高被引阀值:178

JCR分区:1

中科院分区:2

被引次数:

WoS核心集被引频次: 33

SCOPUS被引频次: 36

ESI高被引论文在榜: 0 展开所有

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中文被引频次:

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