Cluster Model Investigation of Chemisorptions for Chalcogens on Nickel

Abstract

The discrete variational Xα cluster calculations have been applied to chemisorptions of chalcogens on nickel. The calculated level structures of the XNi₅ clusters (X=S and Se) show good agreement with experimental UPS and INS spectra. The results show that the adsorptions of S and Se on nickel have stronger covalent character than the oxygen adsorption.