A Theoretical Study of the Effect of The Solvent Type on The Reorganization Energies of Dye - Semiconductor System Interface

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, 1propanol, Formamide, Acetonitrile and Ethanol). The reorganization energy values for dye –semiconductor interface sy stem are large in high polar solvent (waterlambda = 0.741 , Acetonitrilelambda = 0.708 , Ethanollambda = 0.669 ) and small in low polar solvent(1propanol lambda = 0.635 . The reorganization energy in safranine T –semiconductor system is larger ( 0.741- 635 )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.