Abstract
A novel contribution to the mechanism of heterogeneous catalysis is discussed for a model H2-on-nickel (100) system. The effect, which corresponds in a first approximation to the dispersion energy between adsorbate molecule and metal, is calculated through (1) admixture of an ionic component in the wave function of the adsorbate; (2) interaction between this ionic component and the image dipole which it creates in the polarizable metal. A single VB model, using an Anderson-type evaluation of the delocalization energy between adsorbate and metal, shows the image contribution to be 10 to 15% of the total adsorbate ↔ metal interaction energy.
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Malrieu, J.P., Salem, L. The instantaneous image effect: A novel contribution to the mechanism of heterogeneous catalysis. Catal Lett 9, 287–296 (1991). https://doi.org/10.1007/BF00773186
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DOI: https://doi.org/10.1007/BF00773186