Atomic Mechanism of Electrocatalytically Active Co-N Complexes in Graphene Basal Plane for Oxygen Reduction Reaction

ACS Applied Materials and Interfaces

Volumn 7, Issue 49, 2015, Pages 27405-27413

  Li, Feng ^a   Shu, Haibo ^a,b   Hu, Chenli ^a   Shi, Zhaoyi ^a   Liu, Xintong ^a   Liang, Pei ^a   Chen, Xiaoshuang ^b  

^a CHINA JILIANG UNIVERSITY   (China)

^b SHANGHAI INSTITUTE OF TECHNICAL PHYSICS   (China)

Author keywords

active site; density functional theory; doping; electrocatalyst; graphene; oxygen reduction reaction

Indexed keywords

BINDING SITES; CALCULATIONS; CATALYST ACTIVITY; CHEMICAL STABILITY; COBALT COMPOUNDS; DENSITY FUNCTIONAL THEORY; DOPING (ADDITIVES); ELECTROCATALYSIS; ELECTROCATALYSTS; ELECTROLYSIS; ELECTROLYTIC REDUCTION; FUEL CELLS; MOLECULAR DYNAMICS; OXYGEN; REACTION KINETICS; TRANSITION METALS;

AB INITIO MOLECULAR DYNAMICS SIMULATION; ACTIVE SITE; BINDING ABILITIES; FIRST-PRINCIPLES CALCULATION; FOUR-ELECTRON REDUCTION; NON-PRECIOUS METALS; OXYGEN REDUCTION REACTION; REACTION PATHWAYS;

GRAPHENE;

EID: 84950148840     PISSN: 19448244     EISSN: 19448252     Source Type: Journal    
DOI: 10.1021/acsami.5b09169     Document Type: Article

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