Interpretation of CO/Pt Photoemission Data Via Relativistic Cluster Calculations
Elsevier B. V.
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.
C.Y. Yang and D.A. Case, “Interpretation of CO/Pt Photoemission Data Via Relativistic Cluster Calculations,” Surface Science 106, 523-528 (1981).