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

Abstract

    A theoretical calculation of the reorganization energies is demonstrated for semiconductor (TiOâ‚‚, 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 system are large in high polar solvent (water 741 .0 ï¬ , Acetonitrile 708 .0 ï¬ , Ethanol 669 .0 ï¬ ) and small in low polar solvent(1­propanol 635 .0 ï¬ . The reorganization energy in safranine T –semiconductor system is larger ( 635 741.0  )than in coumarin –semiconductor for with the same solvents ( 612 .0731.0  ), this indicates that safranine T dye one more electron transfer reactive towards semiconductor.