DFT Studies of p-N,N-(Dimethylamino) Benzoic Acid with Para or Meta–Electron Withdrawing or Donating Moieties for Dye-Sensitized Solar Cells (DSSCs)
Table 3
The calculated HOMO (eV), LUMO (eV), bandgap (∆E/eV), absorption wavelengths (λmax/nm), oscillator strengths (f), light harvesting efficiencies (LHE), and electronic transition assignments of the gas-phase D1-D1.7 derivatives using B3LYP/6-311++G.