Selectivity control for the catalytic 1,3-butadiene hydrogenation on Pt(111) and Pd(111) surfaces: Radical versus closed-shell intermediates

Journal of Physical Chemistry B

Volumn 109, Issue 29, 2005, Pages 14175-14182

  Valcárcel, Ana ^a,b   Clotet, Anna ^a   Ricart, Josep M ^a   Delbecq, Françoise ^b   Sautet, Philippe ^b  

^a UNIVERSITAT ROVIRA I VIRGILI   (Spain)

^b UNIVERSITÉ DE LYON   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CATALYSIS; HYDROCARBONS; HYDROGENATION; PALLADIUM; PLATINUM; PROBABILITY DENSITY FUNCTION;

1,3 BUTADIENE; DENSITY FUNCTIONAL THEORY (DFT); METALLACYCLIC INTERMEDIATES; REACTION PATHWAYS;

SURFACE CHEMISTRY;

EID: 23844434203     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp052087m     Document Type: Article

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