Density functional theory comparison of methanol decomposition and reverse reactions on metal surfaces

ACS Catalysis

Volumn 5, Issue 2, 2015, Pages 1027-1036

  García Muelas, Rodrigo ^a   Li, Qiang ^a   López, Núria ^a  

^a INSTITUTE OF CHEMICAL RESEARCH OF CATALONIA ICIQ   (Spain)

Author keywords

Bronsted and Evans Polanyi (BEP) relationships; Cu; density functional theory; methanol; Pd; Pt; Ru

Indexed keywords

COMPUTATION THEORY; COPPER; METALS; METHANOL; PALLADIUM; PLATINUM; RUTHENIUM; SURFACE REACTIONS; THERMODYNAMICS;

BRONSTED AND EVANS-POLANYI (BEP) RELATIONSHIPS; CHEMICAL EQUATIONS; CLOSE-PACKED SURFACES; DISPERSION CONTRIBUTION; METHANOL DECOMPOSITION; METHANOL FORMATIONS; THEORETICAL METHODS; THERMODYNAMICS AND KINETICS;

DENSITY FUNCTIONAL THEORY;

EID: 84922722367     PISSN: 21555435     EISSN: None     Source Type: Journal    
DOI: 10.1021/cs501698w     Document Type: Article

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