Charge transport through a flexible molecular junction

Abstract

Vibrationally inelastic electron transport through a flexible molecular junction is investigated. The study is based on a mechanistic model for a biphenyl molecule between two metal electrodes. Employing methods from electron-molecule scattering theory, which allow a numerically exact treatment, we study the effect of vibrational excitation on the transmission probability for different parameter regimes. The current-voltage characteristic is analyzed for different temperatures, based on a Landauer-type formula. Furthermore, the process of electron assisted tunneling between adjacent wells in the torsional potential of the molecule is discussed and the validity of approximate methods to describe the transmission probability is investigated.