A Molecular Mechanism for the Water-Hydroxyl Balance during Wetting of TiO2

Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

Abstract

We show that the formation of the wetting layer and the experimentally observed continuous shift of the H2O-OH balance toward molecular water at increasing coverage on a TiO2(110) surface can be rationalized on a molecular level. The mechanism is based on the initial formation of stable hydroxyl pairs, a repulsive interaction between these pairs, and an attractive interaction with respect to water molecules. The experimental data are obtained by synchrotron radiation photoelectron spectroscopy and interpreted with the aid of density functional theory calculations and Monte Carlo simulations.

Detaljer

Författare
  • M. Amft
  • L. E. Walle
  • D. Ragazzon
  • A. Borg
  • Per Uvdal
  • N. V. Skorodumova
  • A. Sandell
Enheter & grupper
Forskningsområden

Ämnesklassifikation (UKÄ) – OBLIGATORISK

  • Atom- och molekylfysik och optik
Originalspråkengelska
Sidor (från-till)17078-17083
TidskriftJournal of Physical Chemistry C
Volym117
Utgåva nummer33
StatusPublished - 2013
PublikationskategoriForskning
Peer review utfördJa