Surface structure of TiO2(011)-(2x1).
A combined experimental and first principles study of the (2x1)-reconstructed rutile TiO2(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 TiO2(011) surface.
Beck
T J
TJ
Department of Physics, Tulane University, New Orleans, Louisiana 70118, USA.
Klust
Andreas
A
Batzill
Matthias
M
Diebold
Ulrike
U
Di Valentin
Cristiana
C
Selloni
Annabella
A