Ulrike Diebold - Academia.edu (original) (raw)
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Max Planck Institute for the Structure and Dynamics of Matter
University of the Basque Country, Euskal Herriko Unibertsitatea
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Papers by Ulrike Diebold
Physical Review Letters, 2004
A combined experimental and first principles study of the 2 1-reconstructed rutile TiO 2 011 surf... more A combined experimental and first principles study of the 2 1-reconstructed rutile TiO 2 011 surface is presented. Our results provide evidence that the surface structure is described by a model that includes onefold coordinated (titanyl) oxygen atoms giving rise to double bonded Ti--O species. These species should play a special role in the enhanced photocatalytic activity of the TiO 2 011 surface.
Physical Review Letters, 2004
A combined experimental and first principles study of the 2 1-reconstructed rutile TiO 2 011 surf... more A combined experimental and first principles study of the 2 1-reconstructed rutile TiO 2 011 surface is presented. Our results provide evidence that the surface structure is described by a model that includes onefold coordinated (titanyl) oxygen atoms giving rise to double bonded Ti--O species. These species should play a special role in the enhanced photocatalytic activity of the TiO 2 011 surface.