YAKOVKIN, I. N. - In: Surface Review and Letters (SRL) 12 (2005) 03, pp. 449-456
Favored structures of SiOn monolayers on Mo(112) surface have been studied using the total energy minimization technique based on DFT semirelativistic approach. In the [SiO4] complexes, which form the c(2 × 2) silica structure on the Mo(112), the bonding of the Si atoms with the surface is...