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(Color online) (a) and (b) SEM images (top and lateral views) of the anodic TiO2 NTs annealed in O2 at 400 °C. (c) and (d) One supercell structure of samples used in the DFT calculation for anatase TiO2 films with (001) surface and with resident OVs (c) and oxygen adsorptions (d). The gray and red (black) balls represent Ti and O atoms and the green (by arrow) balls stand for oxygen atomic vacancies, respectively.
(Color online) (a) XRD pattern of the TiO2 NTs annealed in O2 at 400 °C. The Ti foil substrate peaks are marked with (). (b) Calculated Kubelka-Munk function F(R) versus wavelength and the inset shows the corresponding UV-visible DRS. (c) and (d) Ti 2p XPS and room-temperature EPR spectra of the annealed NTs.
(Color online) Temperature-dependent PL spectra acquired from the TiO2 NT samples with (a) ∼83 and (b) 105 nm diameters annealed in N2 at Ta = 400 °C, and (c) ∼83 nm diameter annealed in O2 at Ta = 400 °C.
(Color online) Calculated average squared optical matrix element as a function of energy for anatase TiO2 films with (001) surface and with different OVs and oxygen adsorption under different applied stresses.
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