The competition between rectangular and hexagonal phases in TiOx ultrathin (monolayer) films grown on a Pt(111) surface is discussed and rationalized on the basis of general building principles for these pseudoepitaxial oxide phases on a (111) metal substrate. A novel hexagonal reduced phase is also presented for the first time, obtained by thermal treatment at high temperature (similar to 1000 K), and its atomistic structure is unveiled through a combination of STM experiments and theoretical simulations. A consistent picture is obtained for a class of structural families for ultrathin oxide phases on close-packed single-crystal metal surfaces.
Barcaro, G., Cavaliere, E., Artiglia, L., Sementa, L., Gavioli, L., Granozzi, G., Fortunelli, A., Building Principles and Structural Motifs in TiOx Ultrathin Films on a (111) Substrate, <<JOURNAL OF PHYSICAL CHEMISTRY. C>>, 2012; 116 (24): 13302-13306. [doi:10.1021/jp303730j] [http://hdl.handle.net/10807/26223]
Building Principles and Structural Motifs in TiOx Ultrathin Films on a (111) Substrate
Cavaliere, Emanuele;Artiglia, Luca;Gavioli, Luca;Granozzi, Gaetano;
2012
Abstract
The competition between rectangular and hexagonal phases in TiOx ultrathin (monolayer) films grown on a Pt(111) surface is discussed and rationalized on the basis of general building principles for these pseudoepitaxial oxide phases on a (111) metal substrate. A novel hexagonal reduced phase is also presented for the first time, obtained by thermal treatment at high temperature (similar to 1000 K), and its atomistic structure is unveiled through a combination of STM experiments and theoretical simulations. A consistent picture is obtained for a class of structural families for ultrathin oxide phases on close-packed single-crystal metal surfaces.
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