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Zusammenfassung:
Ultrathin Ti-silicate films were prepared on a Ru(0001) surface. Low-energy electron diffraction, scanning tunneling microscopy, and infrared reflection–absorption spectroscopy results support a structural model for the atomic structure of the films that is proposed using density functional theory calculations of films with varying Ti/Si ratios. The film segregates into a pure silicate and a Ti-silicate phase. According to the calculations, a uniform distribution of Ti in the silicate bilayer framework is energetically unfavorable. In the proposed structure, the Ti-silicate film with a Ti/Si 1:1 ratio consists of a monolayer of corner-sharing [SiO4] tetrahedra on top of a monolayer formed by [TiO6] octahedra. Ti–O–Ru bonds connect the film to the Ru substrate. Similar structures are known for both naturally occurring phyllosilicates and a recently reported Fe-silicate film.
