Theoretical study and calculation of electronic current flow at platinum metal contact with TFP molecule systems

Abstract

In this paper, A theoretical calculation of flow charge transfer rate has been used to study the charge transfer processes across the platinum metal contact with TFP molecule. Charge transfer is a fundamental process in photocell and many devices. The charge transfer rate relative potential energy, transition energy and driving force evaluated for poly(9,9’- dioctylfluorene-co-bis-N,N’-(4-butylphenyl)diphenylamine) (TFP) contact with platinum metal via quantum transition for the donor-acceptor model . This study summarizes the mechanism of charge transfer from Platinum to acceptor TFB. The Trifluoroethanol, Methanol, Acetonitrile, Diethyl ether, Acetone, Ethanol, Nitromethane and Tetrahydrofuran (THF) solvents have been taken media for Pt/TFP system. The transition energy has dependent on the dielectric constant, refractive index and polarity, its increased with increased dielectric constant and increased polarity and vice versa. Methanol solvents with Pt/TFP system is better system than other solvents, it’s have large flow charge rate comparing with other solvents. Diethyl ether solvents with system have less flow charge rate comparing with other solvents. The flow charge rate increased with decreased potential and vice versa. Moreover, the potential as function of transition energy, Fermi energy and ionization energy. The Pt/TFP system with Diethyl ether solvent show large potential and less transition energy and less flow charge rate. As results with more polarity solvent the flow charge rate increased with increased polarity compared with low polarity solvent. Consequently, Pt/TFP devices with methanol is best devices comparing with solvents are taken due to higher flow charge transfer rate with large transition energy and polarity and low potential barrier.