The Vibrational Spectroscopy of the Valence Bonds of Cu-Doped TiO₂ Using Electronegativity Principle Quantitative Calculations

Figure 2

Cu-doped TiO₂ structure model; (a) Cu replaced substitutional sites in the anatase; (b) Cu occupied interstitial sites in the anatase; (c) Cu replaced interstitial sites in the rutile; (d) Cu occupied substitutional sites in the rutile.

(a)

(b)

(c)

(d)