The Bonding of CO to a Platinum Surface: Relativistic Cluster Studies

Document Type

Article

Publication Date

7-1-1981

Publisher

Elsevier B. V.

Abstract

Dirac-Slater multiple scattering calculations are presented for CO bound to small platinum clusters. Crystal field models and non-relativistic decompositions are used to describe adsorption in the top, bridge and four-fold hole sites. For these geometries, the net charges transferred from CO are 0.19, 0.00 and −0.06 electrons, respectively.

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