Interaction of gold with a pinwheel TiO similar to .sub.1,2./sub. film formed on Rh(111) facet: STM and DFT studies

0470962 - FZÚ 2017 RIV US eng J - Článek v odborném periodiku
Mutombo, Pingo - Gubo, R. - Berkó, A.
Interaction of gold with a pinwheel TiO similar to _1,2 film formed on Rh(111) facet: STM and DFT studies.
Journal of Physical Chemistry C. Roč. 120, č. 23 (2016), s. 12917-12923. ISSN 1932-7447. E-ISSN 1932-7455
Institucionální podpora: RVO:68378271
Klíčová slova: DFT * wheel-TiO _~1.2 ultrathin film * template * TiO₂(110) * Rh(111) * Au * STM
Kód oboru RIV: BM - Fyzika pevných látek a magnetismus
Impakt faktor: 4.536, rok: 2016

The atomic structure of “pinwheel” TiO∼1.2 ultrathin oxide (w-TiO-UTO) layer and its reaction with gold are studied by scanning tunneling microscopy (STM) imaging and density functional theory (DFT) calculations. The main structural characteristics obtained experimentally were successfully reproduced in the simulation results: (i) the chemical contrast appeared as a pinwheel structure and (ii) compared with an ideal hexagonal lattice, characteristic local distortions were found in the UTO film. In harmony with the experimental results, the DFT calculations of the adsorption of a single Au atom on a w-TiO-UTO layer indicated that there is a characteristic site preference within the unit cell of the UTO film.
Trvalý link: http://hdl.handle.net/11104/0268468