Comparison in optoelectronic properties of triphenylamine-imidazole or imidazole as donor for dye-sensitized solar cell: theoretical approach

In the present work, structural and electronic properties of D-D′-π-A organic dye with two donors have been calculated theoretically by DFT/time-dependent DFT method. order to prove their efficiency as sensitizers, a comparative study was performed series D-π-A architecture one donor. The results light-harvesting (LHE), open circuit voltage (Voc), free energy injection (∆Ginj), regeneration∆Greg,excited-state lifetimes for reveal that dyes are promising design new sensitive in solar cells.