Formation and Splitting of Paired Hydroxyl Groups on Reduced TiO2(110)

Stefan Wendt, Jesper Matthiesen, Renald Schaub, Ebbe K. Vestergaard, Erik Lægsgaard, Flemming Besenbacher, Bjørk Hammer

Research output: Contribution to journalArticlepeer-review

346 Citations (Scopus)

Abstract

A combination of high-resolution scanning tunneling microscopy and density functional theory is utilized to study the interaction of water with the reduced TiO2(110)-(1 × 1) surface. As the direct product of water dissociation in oxygen vacancies, paired hydroxyl groups are formed. These pairs are immobile and stable unless they interact with adsorbed water molecules. As a result of these interactions, protons are transferred to adjacent oxygen rows, thereby forming single hydroxyl groups. Additionally, we show that hydroxyl groups facilitate the diffusion of water molecules over the oxygen rows.

Original languageEnglish
Pages (from-to)066107
Number of pages4
JournalPhysical Review Letters
Volume96
Issue number06
DOIs
Publication statusPublished - Feb 2006

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