Interpretation of satellite structure in the x-ray photoelectron spectra of CO adsorbed on Cu(100)

Abstract

Abstract : By employing the X alpha-scattering wave method with a Cu9CO cluster to model the chemisorption of CO on a one-fold site of a Cu(100) surface, a simple interpretation of the satellite structure observed in the x-ray photoelectron spectrum (XPS) in the C1s and O1s regions, has been obtained. The physical model obtained by analyzing the results of the Cu9CO cluster calculations is qualitatively the same as that obtained in a previous study of a CU5CO cluster with the CO in a four-fold site (Solid State Comm. 36, 265 (1980)). The quantitative differences suggest that the present Cu9CO cluster is the better model, however. Experimentally, a three peak structure is observed in both the O1s and C1s hole spectra. The 'first' peak, at lowest binding energy, is followed by a second peak at 2-3 eV higher binding energy and the third peak is at 7-8 eV higher binding energy with respect to the first peak.