Send to

Choose Destination
Phys Rev Lett. 2001 Dec 24;87(26):266104. Epub 2001 Dec 6.

Oxygen vacancies as active sites for water dissociation on rutile TiO(2)(110).

Author information

Institute of Physics and Astronomy and CAMP, University of Aarhus, DK-8000 Aarhus, Denmark.


Through an interplay between scanning tunneling microscopy experiments and density functional theory calculations, we determine unambiguously the active surface site responsible for the dissociation of water molecules adsorbed on rutile TiO(2)(110). Oxygen vacancies in the surface layer are shown to dissociate H(2)O through the transfer of one proton to a nearby oxygen atom, forming two hydroxyl groups for every vacancy. The amount of water dissociation is limited by the density of oxygen vacancies present on the clean surface exclusively. The dissociation process sets in as soon as molecular water is able to diffuse to the active site.

Supplemental Content

Full text links

Icon for American Physical Society
Loading ...
Support Center