The behavior of water molecules on the surfaces of the TiO 2 nanowire grown in [0 0 1]
direction has been investigated by combining theoretical calculations and experiments.
Calculated UV–visible absorption spectra reproduce the main features of the experimental
spectra. Computations predict that a photoexcitation followed by a sequence of relaxation
events results in photoluminescence across the gap. TiO 2 nanowires in vacuum and
aqueous environment exhibit different dynamics of photo-excited charge carriers. In water …