ADSORPTION OF H2O (MOLECULAR AND DISSOCIATIVE) ON SI(100) AND SI(111) SURFACES CONSIDERED BY AN EMPIRICAL PAIR POTENTIAL METHOD

The adsorption of H2O on Si(100) and Si(111) surfaces is examined by an empirical method, which connects pair potential considerations with the BEBO‐concept. For both surfaces, only small energetic differences between molecular SiH2O and dissociative SiH and SiOH species are obtained, which lie within the margin of error of the method. For the dissociation process of adsorbed H2O‐molecules on Si(100)−(2 × 1), the course of the total energy along a possible reaction path is discussed. Copyright © 1990 WILEY‐VCH Verlag GmbH & Co. KGaA