Calculate of the rate constant of electron transfer in tio2-safranine dye system

Abstract EN

A theoretical calculations of the rate constant of electron transfer (ET) in a dye – semiconductor system with variety solvent are applied on system contains safranineT dye with TiO2 in many solvents like water, 1-propanol, Formamide, Acetonitrile and Ethanol.

A matlap program has been written to evaluate many parameters such that, the solvent reorganization energy, effective free energy, activation free energy, coupling matrix element and the rate constant of electron transfer.

The results of the rate constant of electron transfer calculated theoretically are in a good agreement with experimental and theoretical values of other research.