Nature of the Interstitials in Titanium Dioxide and Their Impact on Transmission Coefficient: Ab Initio Calculations

Figure 9

Transmission coefficients for the defected ZrO₂ with the Cu interstitials (a), Ti interstitials (b), the defected TiO₂ with the Zr interstitials (c), Ti interstitials (d), and Cu interstitials (e).

(a)

(b)

(c)

(d)

(e)