Effect of ligand, support and solvent on the O2 binding of non-precious metal catalysts: An AB initio study

ECS Transactions

Volumn 45, Issue 2, 2012, Pages 97-107

  Zhu, Hongjuan ^a   Paddison, Stephen J ^a   Zawodzinski, Thomas A ^a  

^a University of Tennessee   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CALCULATIONS; CATALYST ACTIVITY; CHEMICAL BONDS; COBALT COMPOUNDS; COPPER COMPOUNDS; ELECTROLYTIC REDUCTION; IRON COMPOUNDS; POLYELECTROLYTES; PRECIOUS METALS; PROTON EXCHANGE MEMBRANE FUEL CELLS (PEMFC);

ANTIBONDING; AQUEOUS MEDIA; CENTRAL METALS; D ORBITALS; DENSITY-FUNCTIONAL THEORY CALCULATIONS; NON-PRECIOUS METAL CATALYSTS; ORBITALS; OXYGEN REDUCTION REACTION; PLATINUM BASED CATALYST; ]+ CATALYST;

DENSITY FUNCTIONAL THEORY;

EID: 84869019987     PISSN: 19385862     EISSN: 19386737     Source Type: Conference Proceeding    
DOI: 10.1149/1.3701971     Document Type: Conference Paper

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