Combinatorial density functional theory-based screening of surface alloys for the oxygen reduction reaction

Journal of Physical Chemistry C

Volumn 113, Issue 12, 2009, Pages 4932-4939

  Greeley, Jeff ^a,b   Nørskov, Jens K ^a  

^a TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

^b ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

A DENSITIES; ACIDIC ENVIRONMENTS; COMBINATORIAL SEARCHES; COMPUTATIONAL TESTS; DENSITY FUNCTIONAL; DESCRIPTOR; DFT CALCULATIONS; KINETIC MECHANISMS; LOW-TEMPERATURE FUEL CELLS; OXYGEN REDUCTION REACTIONS; POTENTIAL DEPENDENTS; SURFACE ALLOYS; SURFACE LAYERS; TRANSITION METAL SURFACES;

BINARY ALLOYS; CATALYSIS; CATALYSTS; ELECTROLYTIC REDUCTION; FUEL CELLS; OXYGEN; PROBABILITY DENSITY FUNCTION; SINGLE CRYSTAL SURFACES; STABILITY CRITERIA; SULFUR COMPOUNDS; TRANSITION METAL ALLOYS; TRANSITION METALS;

DENSITY FUNCTIONAL THEORY;

EID: 65249171400     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp808945y     Document Type: Article

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