Reactive and nonreactive scattering of H2 from a metal surface is electronically adiabatic

Science

Volumn 312, Issue 5770, 2006, Pages 86-89

  Nieto, Pablo ^a   Pijper, Ernst ^b   Barredo, Daniel ^a   Laurent, Guillaume ^a   Olsen, Roar A ^b   Baerends, Evert Jan ^c   Kroes, Geert Jan ^b   Farías, Daniel ^a  

^a INSTITUTO NICOLÁS CABRERA   (Spain)

^b LEIDEN UNIVERSITY   (Netherlands)

^c VU UNIVERSITY AMSTERDAM   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSTS; ELECTRIC EXCITATION; MOTION CONTROL; REACTION KINETICS; VELOCITY CONTROL;

ABSOLUTE PROBABILITIES; BORN-OPPENHEIMER APPROXIMATION; METAL SURFACE; MOLECULAR HYDROGEN;

APPROXIMATION THEORY;

HYDROGEN; METAL; PLATINUM;

ADIABATIC PROCESS; CATALYSIS; ELECTRON; HYDROGEN; SCATTERING; SORPTION;

ACCURACY; ADSORPTION; ARTICLE; CALCULATION; CATALYSIS; DISSOCIATION; ELECTRON DIFFRACTION; ENERGY; MOTION; PRIORITY JOURNAL; PROBABILITY; REACTION ANALYSIS; VELOCITY;

EID: 33645681300     PISSN: 00368075     EISSN: 10959203     Source Type: Journal    
DOI: 10.1126/science.1123057     Document Type: Article

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34. This research was supported by the Chemische Wetenschappen of the Nederlandse organisatie voor Wetenschappelijk Onderzoek; the Stichting Nationale Computerfaciliteiten (NCF); the Dirección general de investigación (Spain) (project nos. CTQ2004-00039/BQU and NAN2004-08881-C02-01); the Comunidad de Madrid (contracts GR/MAT/0155/2004 and S-0505/MAT-0194); the "Programa Ramon y Cajal"; and a scholarship (G.L. and P.N.) from the Ministerio de Educación y Ciencia (Spain). We thank E. Fuente, A. Buendía, and J. Rodriguez for technical assistance.