DFT studies for cleavage of C-C and C-O bonds in surface species derived from ethanol on Pt(111)

Journal of Catalysis

Volumn 218, Issue 1, 2003, Pages 178-190

  Alcala R ^a   Mavrikakis, M ^a   Dumesic, J A ^a,b  

^a UNIVERSITY OF WISCONSIN MADISON   (United States)

^b Department of Chemical Engineering ^*  (United States)

Author keywords

Decomposition; DFT; Ethanol; Platinum

Indexed keywords

1 HYDROXYETHYLIDENE; ACETIC ACID DERIVATIVE; ALCOHOL; ALKENE DERIVATIVE; CARBON; CARBON MONOXIDE; ETHANE; HYDROGEN; KETENE DERIVATIVE; METHYLIDENE; PLATINUM; TRANSITION ELEMENT; UNCLASSIFIED DRUG;

ADSORPTION; ARTICLE; CALCULATION; CHEMICAL BOND; CHEMICAL REACTION; CORRELATION ANALYSIS; DENSITY FUNCTIONAL THEORY; ENERGY; HIGH TEMPERATURE; ISOMERISM; PREDICTION; THEORY;

EID: 0038335479     PISSN: 00219517     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0021-9517(03)00090-3     Document Type: Article

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