Performance of hybrid density functional theory methods toward oxygen electroreduction over platinum

Electrochimica Acta

Volumn 52, Issue 9, 2007, Pages 3149-3159

  Albu, Titus V ^a   Mikel, Sean E ^a  

^a TENNESSEE TECHNOLOGICAL UNIVERSITY   (United States)

Author keywords

Activation energy; Density functional theory; Hartree Fock exchange; Hydroperoxyl oxidation; Oxygen reduction; Platinum

Indexed keywords

ACTIVATION ENERGY; CATALYSIS; FUEL CELLS; OXIDATION; OXYGEN; PLATINUM COMPOUNDS;

DENSITY FUNCTIONAL THEORY; HARTREE FOCK EXCHANGE; HYDROPEROXYL OXIDATION; OXYGEN REDUCTION;

PROBABILITY DENSITY FUNCTION;

EID: 33846574372     PISSN: 00134686     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.electacta.2006.09.057     Document Type: Article

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