Theoretical study of the adsorption of rhodium on a TiO 2 (1 1 0)-1 × 1 surface

P. Mutombo, N. Balázs, Z. Majzik, A. Berkó, V. Cháb

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

Density functional theory (DFT) calculations were used to study the adsorption of rhodium on a TiO 2 (1 1 0)-1 × 1 surface as a function of coverage. It was found that Rh atom prefers the hollow site between a bridging oxygen atom, a threefold oxygen atom and a fivefold coordinated Ti atom, regardless of the coverage used. DFT calculations also suggest that Rh-Rh interaction is attractive along the [0 0 1] direction, implying that the Rh 1D nanostructure should grow preferentially along this direction. Simulated Rh dimer clusters resemble strongly Pd dimers resolved in STM experiments suggesting that both metals occupy the same adsorption site at the TiO 2 (1 1 0) surface.

Original languageEnglish
Pages (from-to)4478-4482
Number of pages5
JournalApplied Surface Science
Volume258
Issue number10
DOIs
Publication statusPublished - Mar 1 2012

Keywords

  • Density functional theory
  • Oxide surface
  • Rhodium
  • Scanning tunneling spectroscopy

ASJC Scopus subject areas

  • Chemistry(all)
  • Condensed Matter Physics
  • Physics and Astronomy(all)
  • Surfaces and Interfaces
  • Surfaces, Coatings and Films

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