First-principles analysis of structure sensitivity in NO oxidation on Pt

ACS Catalysis

Volumn 5, Issue 2, 2015, Pages 1087-1099

  Bray, J M ^a   Schneider, W F ^a  

^a University of Notre Dame   (United States)

Author keywords

cluster expansion; DFT; first principles kinetics; NO oxidation; Pt catalyst; structure sensitivity

Indexed keywords

ACTIVATION ENERGY; CALCULATIONS; CATALYSTS; DISSOCIATION; KINETICS; OXIDATION; PLATINUM; REACTION KINETICS; REACTION RATES; SINGLE CRYSTALS;

CLUSTER EXPANSION; DFT; FIRST PRINCIPLES; NO OXIDATION; PT CATALYSTS; STRUCTURE SENSITIVITY;

DENSITY FUNCTIONAL THEORY;

EID: 84922727304     PISSN: 21555435     EISSN: None     Source Type: Journal    
DOI: 10.1021/cs501783q     Document Type: Article

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