Theoretical Studies of Electronic Structure and Photophysical Properties of a Series of Indoline Dyes with Triphenylamine Ligand

Figure 3

The energy levels and contour plot of HOMO and LUMO, as well as HOMO-LUMO energy gap (eV) of D149 and D1–D4. The redox potential of (−4.80 eV) and energy level of conduction band (CB) of the TiO₂ surface (−4.00 eV) are drawn in red line.