DFT study of Pt adsorption on low index SrTiO3 surfaces: SrTiO3(1 0 0), SrTiO3(1 1 1) and SrTiO3(1 1 0)

Density Functional Theory has been used to determine the energetically preferred structures of submonolayer, monolayer, and multilayer Pt films on both ideal terminations of SrTiO3(1 0 0), SrTiO3(1 1 1), and SrTiO3(1 1 0). The strength of the resulting metal/metal oxide interfaces was characterized by the adsorption energy of the film and the film’s work of separation. The two polar surfaces, SrTiO3(1 1 1) and SrTiO3(1 1 0), form significantly stronger interfaces than the non-polar SrTiO3(1 0 0) surface. Approximate criteria were applied to predict the growth mode of Pt on each surface.