Density functional theory studies of acetylene hydrogenation on clean, vinylidene- and ethylidyne-covered Pt(1 1 1) surfaces

Journal of Molecular Catalysis A: Chemical

Volumn 218, Issue 2, 2004, Pages 217-227

  Podkolzin, Simon G ^a,b   Alcalá, Rafael ^a   Dumesic, James A ^a  

^a University of Wisconsin Madison   (United States)

^b DOW CHEMICAL COMPANY   (United States)

Author keywords

Acetylene; Adsorption; DFT; Ethane; Ethylene; Ethylidyne; Hydrogen; Hydrogenation; Lateral interactions; Platinum; Spectator species; Vinylidene

Indexed keywords

ACTIVATION ENERGY; CHEMICAL BONDS; COMPUTATIONAL METHODS; HYDROGENATION; REACTION KINETICS; SURFACES;

DENSITY FUNCTIONAL THEORY (DFT); ENERGETICS; SPATIAL FORMATIONS;

ACETYLENE;

ETHYLIDYNE; HYDROCARBON; HYDROGEN; UNCLASSIFIED DRUG; VINYLIDENE CHLORIDE;

ADSORPTION; ARTICLE; CALCULATION; DENSITY; ENERGY; ENERGY TRANSFER; HYDROGENATION; PHASE TRANSITION; SURFACE PROPERTY; THEORETICAL STUDY;

EID: 2942650704     PISSN: 13811169     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molcata.2004.04.015     Document Type: Article

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