Coordination to transition metal surfaces : a theoretical study

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Abstract

A theoretical framework is developed that describes the chemisorption of CO to transition metal surfaces analogous to the HOMO-LUMO concept of MO theory. An explanation is given for the exptl. observation that CO adsorbs on top at the (111), face of Pt, but bridge at the (111) face of Ni. One is due to differences in the interaction with the d-valence electrons. Adsorption of K changes the relative position of the adsorbate levels with respect to the Fermi level of the metal due to the pos. charge of adsorbed K. This changes the balance of the donating and back donating contributions to the adsorption energy of CO and tends to favor bridge coordination on Pt as found exptl. The factors detg. top or multiple adsorption of H were analyzed.
Original languageEnglish
Title of host publicationImpact of surface science on catalysis. Structure-selectivity/activity correlations. New routes for catalyst synthesis
Place of PublicationWeinheim
PublisherVerlag Chemie
Pages97-108
ISBN (Print)3-527-26231-8
Publication statusPublished - 1985
Event8th International Congress on Catalysis (8th ICC), July 2-6, 1984, West Berlin, Germany - West Berlin, Germany
Duration: 2 Jul 19846 Jul 1984

Conference

Conference8th International Congress on Catalysis (8th ICC), July 2-6, 1984, West Berlin, Germany
Abbreviated title8th ICC
CountryGermany
CityWest Berlin
Period2/07/846/07/84

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Cite this

Santen, van, R. A. (1985). Coordination to transition metal surfaces : a theoretical study. In Impact of surface science on catalysis. Structure-selectivity/activity correlations. New routes for catalyst synthesis (pp. 97-108). Weinheim: Verlag Chemie.