Coordination to transition metal surfaces : a theoretical study

R.A. Santen, van

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    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.
    Originele taal-2Engels
    TitelImpact of surface science on catalysis. Structure-selectivity/activity correlations. New routes for catalyst synthesis
    Plaats van productieWeinheim
    UitgeverijVerlag Chemie
    Pagina's97-108
    Aantal pagina's11
    ISBN van geprinte versie3-527-26231-8
    StatusGepubliceerd - 1985
    Evenement8th International Congress on Catalysis (8th ICC), July 2-6, 1984, West Berlin, Germany - West Berlin, Duitsland
    Duur: 2 jul. 19846 jul. 1984

    Congres

    Congres8th International Congress on Catalysis (8th ICC), July 2-6, 1984, West Berlin, Germany
    Verkorte titel8th ICC
    Land/RegioDuitsland
    StadWest Berlin
    Periode2/07/846/07/84
    AnderICC : International Congress on Catalysis ; 8 (Berlin, West) : 1994.07.02-06

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