Research Article
Nature of the Interstitials in Titanium Dioxide and Their Impact on Transmission Coefficient: Ab Initio Calculations
Figure 1
Configuration of the defected TiO2 with the interstitials (a), the defected ZrO2 with the interstitials (b), and the defected TiO2 with the substitutions (c).
(a) |
(b) |
(c) |