Formation and diffusion of water dimers on rutile TiO2(110)

From an interplay of time-lapsed high resolution scanning tunneling microscopy and density functional theory calculations we reveal the formation and diffusion of water dimers on hydrated rutile TiO2(110)-(1x1) surfaces, i.e., surfaces containing OH_{br} groups. At temperatures between approximately...

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Bibliographic Details
Published in:Physical review letters 2009-06, Vol.102 (22), p.226101-226101
Main Authors: Matthiesen, J, Hansen, J O, Wendt, S, Lira, E, Schaub, R, Laegsgaard, E, Besenbacher, F, Hammer, B
Format: Article
Language:English
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Summary:From an interplay of time-lapsed high resolution scanning tunneling microscopy and density functional theory calculations we reveal the formation and diffusion of water dimers on hydrated rutile TiO2(110)-(1x1) surfaces, i.e., surfaces containing OH_{br} groups. At temperatures between approximately 150 and approximately 210 K water monomers diffusing along the Ti troughs were found to form stable water dimers that diffuse faster than the water monomers. An H bond mediated rollover mechanism operating for the water dimers explains the experimental findings.
ISSN:0031-9007
DOI:10.1103/PhysRevLett.102.226101