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

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

Automated summary

Theoretical calculations and comparative studies show that the D-D'-pi-A organic dye with two donors has great potential in solar cells.