Adsorption of H2O on double layer stepped Si(111) surface

Katircioglu S. , Erkoc S.

SURFACE SCIENCE, vol.374, pp.208-214, 1997 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 374
  • Publication Date: 1997
  • Doi Number: 10.1016/s0039-6028(96)01197-1
  • Title of Journal : SURFACE SCIENCE
  • Page Numbers: pp.208-214


We have investigated possible water adsorption forms on stepped Si(111) surface. Calculations have been performed by using the empirical tight-binding method. Two types of adsorption model of water on single layer stepped Si(111) surface have been considered; one of them is the dissociative type (H, OH) and the other is the molecular type (H2O). The total electronic energy and TDOS calculations lead to a dissociative type of adsorption of water on stepped Si(111) surface excluding the molecular type. (C) 1997 Elsevier Science B.V.