A theoretical study of the effect of the solvent type on the reorganization energies of dye-semiconductor system interface

الملخص EN

A theoretical calculation of the reorganization energies is demonstrated for semiconductor (TiO₂, ZnO) and organic dye (safranine T, and coumarin) with a variety solvent such that (water, 1-propanol, Formamide, Acetonitrile and Ethanol).

The reorganization energy values for dye –semiconductor interface system are large in high polar solvent (water λ = 0.741, Acetonitrile λ = 0.708, Ethanol λ = 0.669) and small in low polar solvent (1-propanol λ = 0.635.

The reorganization energy in safranine T –semiconductor system is larger (0.731-0.612), than in coumarin –semiconductor for with the same solvents (0.731-0.612), this indicates that safranine T dye one more electron transfer reactive towards semiconductor.