Structure of Fe-Nx-C defects in oxygen reduction reaction catalysts from first-principles modeling

Journal of Physical Chemistry C

Volumn 118, Issue 26, 2014, Pages 14388-14393

  Holby, Edward F ^a   Wu, Gang ^b   Zelenay, Piotr ^b   Taylor, Christopher D ^a,c  

^a LOS ALAMOS NATIONAL LABORATORY   (United States)

^b LOS ALAMOS NATIONAL LABORATORY   (United States)

^c DNV GL   (Norway)

Author keywords

[No Author keywords available]

Indexed keywords

DEFECTS; ELECTROLYTIC REDUCTION; SYNTHESIS (CHEMICAL);

ACTIVE SITE; FE-BASED; FIRST-PRINCIPLES MODEL; GRAPHENE EDGES; NON-PRECIOUS METALS; OXYGEN REDUCTION REACTION; RATIONAL DESIGN; SYNTHESIS CONDITIONS;

CATALYST ACTIVITY;

EID: 84903783680     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp503266h     Document Type: Article

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