Thermoelectric Properties of Single Molecule Junction in Presence of Dephasing and Different Coupling Geometries

Abstract

The thermoelectric properties of a benzene molecule coupled to three-dimensional metallic electrodes are examined in the presence of dephasing processes using Green function formalism in the linear response regime. The three different kind of configurations (ortho, meta and para) are taken into account for the coupling between the molecule and electrodes. Results show that the thermoelectric properties of the single molecular junction are strongly dependent on the coupling geometry. Our results predict that the thermoelectric efficiency is increased in specific geometry as a consequence of interference effects. It is found that the dephasing effects result in the reduction of the thermoelectric efficiency.