Trends in formic acid decomposition on model transition metal surfaces: A density functional theory study

ACS Catalysis

Volumn 4, Issue 12, 2014, Pages 4434-4445

  Herron, Jeffrey A ^a   Scaranto, Jessica ^a   Ferrin, Peter ^a   Li, Sha ^a   Mavrikakis, Manos ^a  

^a University of Wisconsin Madison   (United States)

Author keywords

Dehydrogenation; Density functional theory; Formic acid; Selectivity; Structure sensitivity; Thermochemistry

Indexed keywords

BINDING ENERGY; CARBON; CARBON DIOXIDE; CARBON MONOXIDE; CATALYST SELECTIVITY; DEHYDROGENATION; FORMIC ACID; IRIDIUM; PALLADIUM; POTENTIAL ENERGY; RUTHENIUM; THERMOCHEMISTRY; TRANSITION METALS;

CHEMICAL EQUATIONS; DENSITY FUNCTIONAL THEORY STUDIES; FORMIC ACID DECOMPOSITIONS; MODEL TRANSITION; PERIODIC DENSITY FUNCTIONAL THEORY; RELATIVE STABILITIES; STRUCTURE SENSITIVITY; SURFACE INTERMEDIATES;

DENSITY FUNCTIONAL THEORY;

EID: 84915813221     PISSN: 21555435     EISSN: None     Source Type: Journal    
DOI: 10.1021/cs500737p     Document Type: Article

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