Variations in the Nature of Metal Adsorption on Ultrathin Al(2)O(3) Films

Abstract

First-principles density-functional calculations are used to study metal adsorption (Li, K, Y, Nb, Ru, Pd, Pt, Cu, Ag, Au, and Al at 1/3-4 monolayer coverages) atop 5 ~ A1203 films on Al(Ill). The oxide-metal bond is ionic at Iow coverages but, with interesting exceptions, caused by polari@i ,~-cE!vED at high coverages where the overlayer is metallic. Binding trends are explained in terms of s'imp e concepts. Increasing overlayer thickness can cause the adsorbate-oxide interface structure to than . %lEc o ~ 1998 and while some metals wet, most do not.