Mixed dissociated/molecular monolayer of water on the TiO2(0 1 1)-(2 × 1) surface

T. J. Beck, Andreas Klust, Matthias Batzill, Ulrike Diebold, Cristiana Di Valentin, Antonio Tilocca, Annabella Selloni

Research output: Contribution to journalArticle

40 Scopus citations

Abstract

A combined theoretical and experimental approach is used to study water on the TiO2(0 1 1)-(2 × 1) surface. Based on simple proximity arguments dissociative adsorption is expected. Density functional theory and photoemission spectroscopy show that, at low temperatures, a mixed molecular/dissociated water monolayer is stabilized by a H-bonding network. Scanning tunneling microscopy and molecular dynamics simulations provide evidence of a dissociated layer with a preferential non-uniform arrangement of the adsorbates at room temperature.

Original languageEnglish (US)
Pages (from-to)L267-L272
JournalSurface Science
Volume591
Issue number1-3
DOIs
StatePublished - Oct 20 2005

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics
  • Surfaces and Interfaces
  • Surfaces, Coatings and Films
  • Materials Chemistry

Keywords

  • Adsorption
  • Density functional calculations
  • Molecular dynamics
  • Photoelectron spectroscopy
  • Scanning tunneling microscopy
  • Titanium dioxide
  • Water

Fingerprint Dive into the research topics of 'Mixed dissociated/molecular monolayer of water on the TiO<sub>2</sub>(0 1 1)-(2 × 1) surface'. Together they form a unique fingerprint.

  • Cite this

    Beck, T. J., Klust, A., Batzill, M., Diebold, U., Di Valentin, C., Tilocca, A., & Selloni, A. (2005). Mixed dissociated/molecular monolayer of water on the TiO2(0 1 1)-(2 × 1) surface. Surface Science, 591(1-3), L267-L272. https://doi.org/10.1016/j.susc.2005.06.021