WATER-ADSORPTION ON THE STEPPED SI(110) SURFACE

We have investigated the possible water adsorption forms on the steppe d Si(110) surface. Calculations have been performed by using the empir ical tight-binding method. Two types of adsorption model of water on a single layer stepped Si(110) surface have been considered, one of the m is the dissociative type (H, OH) and the other one is the molecular type (H2O). The total electronic energy and TDOS calculations lead to a dissociative type of water adsorption on the stepped Si(110) surface excluding the molecular type as it was found on the flat Si(110) surf ace.