Ab initio study of K adsorption on a Ag(100) surface

Abstract

Ab initio Hartree-Fock calculations are reported for the chemisorption of K on Ag using three different types of clusters to model the system. Geometry optimization is done in 4 degrees of freedom. It is found that since there is an absence of complete charge transfer between the adsorbate and substrate, the interaction can be interpreted as being predominately covalent in nature.

The effect of Ag as a promoter for Ru/CeO2 catalysts in ammonia synthesis

“…It is clearly implied that the working function of Ru has been decreased. Lowing the work function for a transition metal as a result of its coating with an alkali metal-oxygen film has been reported in many papers [31][32][33]. There are two different ways to explain such negative shift.…”