Electronic structure of OH adsorbed on nickel

Abstract

1. Upon interaction of OH with Ni(100)m Ni(111), and Ni(110), stable, many-center forms of OH adsorption are produced. One-center and bridge forms of OH adsorption on nickel are kinetically unstable for the lowest surface coverages. 2. On Ni(100) and Ni(111), a linear form of adsorption of OH is realized; on Ni(110), an angular form is realized, with a polar angle Θ0 = 20°. 3. In the course of adsorption, there is a significant transfer of electron density from the metal to the OH, leading to an increase in the work function of the electrons and a decrease in the frequency of the ν(O−H) vibration. For the angular forms of adsorption, bending vibrations δ(O−H−Ni) are active. 4. Upon adsorption of OH, a strong σ-bond Ni(110)−OH is formed, as manifested in the UV photoelectron spectra by absorption in the 9.2 eV energy region.