Please use this identifier to cite or link to this item: http://hdl.handle.net/2445/13260
Title: Oxygen vacancies as active sites for water dissociation on rutile TiO2(110)
Author: Schaub, R.
Thostrup, P.
López, Núria (López Alonso)
Laegsgaard, E.
Stengsgaard, I.
Nørskov, Jens K.
Besenbacher, F.
Keywords: Pel·lícules fines
Química de superfícies
Metalls
Propietats físiques
Thin films
Surface chemistry
Metals
Physical properties
Issue Date: 2001
Publisher: American Physical Society
Abstract: 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 TiO2(110). Oxygen vacancies in the surface layer are shown to dissociate H2O 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.
Note: Reproducció digital del document proporcionada per PROLA i http://dx.doi.org/10.1103/PhysRevLett.87.266104
It is part of: Physical Review Letters, 2001, vol. 87, núm. 26, p. 266104-1-266104-4
URI: http://hdl.handle.net/2445/13260
ISSN: 0031-9007
Appears in Collections:Articles publicats en revistes (Ciència dels Materials i Química Física)

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