Theory of Charge Transfer Reaction Process at the Sensitizers Molecule Dye N3 Contact with MgO Semiconductor

Abstract

A theoretical charge transport rate approach has taken to study the charge transfer properties in non-homogeneous N3-MgO systems. It develops at the fully quantum transition theory by means of transition energy, potential, driving energy and coupling constant. It is obtained that transition energy is determined by the donor acceptor scenario, dependent on the radii of N3 and MgO, dielectric constant and refractive index of solvents. The transition energy of charge carriers increased with increased dielectric constant and decreased refractive index of solvents. Transition energy of N3-MgO system reach to top with methanol (0.582 ev) and has minimum with Chlorobenzene (0.104eV). Dependences of the driving energy versus chemical potential of N3 dye and conduction band of semiconductor with potential barrier, the charge transfer rate are increased with decreased driving force of system. It is established that increased coupling constant factor reduces to increased charge transfer rate.

Study and Evaluation of Charge Current Rate for Fe/ZnPc Sensitizers Molecule Interface System

“…Where 𝑓𝑓 (𝑇𝑇) is the occupation function of the Fermi-Dirac distribution for electrons as function of electron energy E at the interface and is given as [17].…”