Molecular quantum interference effects on thermopower in hybrid 2-dimensional monolayers

Abstract

Quantum interference effects in single-molecule devices can significantly enhance the thermoelectric properties of these devices. However, single-molecule systems have limited utility for power conversion. In this work, we study the effects of destructive quantum interference in molecular junctions on the thermoelectric properties of hybrid, 2-dimensional molecule–nanoparticle monolayers. We study two isomers of benzenedithiol molecules, with either a para or meta configuration for the thiol groups, as molecular interlinkers between gold nanoparticles in the structure. The asymmetrical structure in the meta configuration significantly improves the Seebeck coefficient and power factor over the para configuration. These results suggest that thermoelectric performance of engineered, nanostructured material can be enhanced by harnessing quantum interference effects in the substituent components.