Title

Interpretation of CO/Pt Photoemission Data Via Relativistic Cluster Calculations

Document Type

Article

Publication Date

5-1-1981

Publisher

Elsevier B. V.

Abstract

Small clusters modeling various surfaces of platinum are employed in relativistic molecular orbital calculations. The results are correlated with existing ultraviolet (UPS) and X-ray (XPS) photoelectron spectra. The Pt valence band consists of two complexes, d52and d32, separated by spin-orbit splitting. The UPS result for clean Pt(111) conforms to a schematic description of the Pt d-band. The calculated ionization energies for the adsorbed CO compare well with UPS and XPS data.

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