Theoretical Evaluation of Flow Electronic Rate at Au/TFB Interface

Abstract

This investigation presents a quantum model for electron transfer allows us to calculate the flow electronic transfer rate through metal/molecule devices. The flow electronic transfer rate at interfaces between Au metal contact with poly(9,9’-dioctylfluorene-co-bis-N, N’-(4-butylphenyl)-diphenylamine) (TFB) and solvents media with polarity is ranging from 0.315 for Diethyl ether to 0.5361 for Methanol is investigated via quantum theory of donor acceptor model. The flow rate are large with Au energy level alignment with TFB levels has been found when the potential barrier at interface is 0.066 eV with Diethyl ether solvents. Flow electronic transfer rate for Au/TFB system with methanol solvent decreased cross interface when the potential barrier is as large as 0.122 eV. This lead to produce accumulate the charges on the both side of Au and TFB when the potential at interface is large. The resulting slow transfer of electrons cross interface. Furthermore, Au metal contact on TFB molecule interface frequently with different solvents media and have large flow rate with Diethylether solvents and low flow rate with Methanol.