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Water Adsorption on TiO2

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Abstract

Scanning Tunneling Microscopy (STM) studies and Density Functional Theory (DFT) investigations of the interaction of water with the rutile TiO2 (110) surface are summarized. From high-resolution STM the following reactions have been revealed: water adsorption and diffusion in the Ti troughs, water dissociation in bridging oxygen vacancies, assembly of adsorbed water monomers into rapidly diffusing water dimers, and formation of water dimers by reduction of oxygen molecules. The STM results are rationalized based on DFT calculations, revealing the bonding geometries and reaction pathways of the water species on the TiO2 (110) surface.

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Acknowledgments

We would like to congratulate Jens K. Nørskov on receiving the 2009 Gabor A. Somorjai Award for creative research in catalysis from the American Chemical Society. Also we thank Jens for a very stimulating and productive collaboration, for many enlightening discussions and for a close friendship throughout the years. We further thank Jesper Matthiesen, Jonas Ø. Hansen and Erik Lægsgaard for fruitful collaborations on the topics of this manuscript. We acknowledge support from the Danish Natural Science Research Council, Dansk Center for Scientific Computing, the Villum Kann Rasmussen Foundation and from the European Research Council through an advanced ERC grant (FB).

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Authors and Affiliations

  1. Interdisciplinary Nanoscience Center (iNANO) and Department of Physics and Astronomy, Aarhus University, 8000, Aarhus C, DK, Denmark

    B. Hammer, S. Wendt & F. Besenbacher

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  1. B. Hammer
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Correspondence to B. Hammer.

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Hammer, B., Wendt, S. & Besenbacher, F. Water Adsorption on TiO2 . Top Catal 53, 423–430 (2010). https://doi.org/10.1007/s11244-010-9454-3

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