A density functional theory study on oxygen reduction reaction on nitrogen-doped graphene

Journal of Molecular Modeling

Volumn 19, Issue 12, 2013, Pages 5515-5521

  Zhang, Jing ^a,b,c   Wang, Zhijian ^a   Zhu, Zhenping ^a  

^a INSTITUTE OF COAL CHEMISTRY   (China)

^b TAIYUAN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^c UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

Author keywords

Density functional theory; Nitrogen doped carbon; Oxygen reduction reaction; Reaction mechanism

Indexed keywords

GRAPHENE; NITROGEN; OXYGEN;

ADSORPTION; ARTICLE; DENSITY FUNCTIONAL THEORY; ELECTRON; HYDROGENATION; PRIORITY JOURNAL; REACTION ANALYSIS; REDUCTION KINETICS;

EID: 84890857392     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-013-2047-x     Document Type: Article

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