Energy Transfer and Thermoelectricity in Molecular Junctions in Non-Equilibrated Solvents

TL;DR

This paper explores how nonequilibrium solvent dynamics influence energy transfer and thermoelectric properties in molecular junctions, revealing that tuning solvent friction can optimize heat transfer and enhance thermoelectric efficiency.

Contribution

It introduces a detailed analysis of nonequilibrium solvent effects on thermoelectric properties, extending previous models to include solvent friction tuning.

Findings

Heat dissipation into solvent can be reduced by tuning friction.

Seebeck coefficient increases significantly with solvent friction.

Thermoelectric efficiency can be optimized through solvent dynamics.

Abstract

We consider a molecular junction immersed in a solvent where the electron transfer is dominated by Marcus-type steps. However, the successive nature of the charge transfer through the junction does not imply that the solvent reach thermal equilibrium throughout the transport. In our previous work \cite{kir2020} we have determined the nonequilibrium distribution of the solvent where its dynamics, expressed by a friction, is considered in two limiting regimes of fast and slow solvent relaxation. In dependence of the nonequilibrium solvent dynamics, we investigate now the electrical, thermal and thermoelectric properties of the molecular junction. We show that by suitable tuning the friction, we can reduce the heat dissipation into the solvent and enhance the heat transfer between the electrodes. Interestingly, we find that the Seebeck coefficient grows significantly by adapting the solvent friction in both regimes.