A Molecular Mechanism for the Water-Hydroxyl Balance during Wetting of TiO2
Research output: Contribution to journal › Article
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.
|Research areas and keywords||
Subject classification (UKÄ) – MANDATORY
|Journal||Journal of Physical Chemistry C|
|State||Published - 2013|
The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Chemical Physics (S) (011001060)