论文标题
非平衡溶剂中分子连接的能量转移和热电学
Energy Transfer and Thermoelectricity in Molecular Junctions in Non-Equilibrated Solvents
论文作者
论文摘要
我们考虑一个浸入溶剂中的分子连接，其中电子转移以Marcus型步骤为主。但是，通过连接的电荷传输的连续性质并不意味着溶剂在整个运输过程中达到热平衡。在我们以前的工作\ cite {Kir2020}中，我们确定了溶剂的非平衡分布，其中其动力学以摩擦表示，在两个限制性的溶剂放松方面都被考虑。根据非平衡溶剂动力学的依赖性，我们现在研究了分子连接的电气，热和热电特性。我们表明，通过适当调整摩擦，我们可以将散热降低到溶剂中，并增强电极之间的热传递。有趣的是，我们发现Seebeck系数通过在这两个制度中调整溶剂摩擦来显着增长。
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.
