非平衡溶剂中分子结的能量传递和热电性
Energy Transfer and Thermoelectricity in Molecular Junctions in Non-Equilibrated Solvents
摘要：
我们考虑一个分子结浸没在溶剂中的电子转移占主导地位的马库斯型步骤。然而，电荷通过结转移的连续性质并不意味着溶剂在整个传输过程中达到热平衡。在我们以前的工作\cite{kir2020}中，我们已经确定了溶剂的非平衡分布，其动态，表示摩擦，被认为是在两个限制制度的快速和缓慢的溶剂松弛。在非平衡溶剂动力学的基础上，我们研究了分子结的电学、热学和热电性质。我们表明，通过适当的调整摩擦，我们可以减少热耗散到溶剂和增强电极之间的热传递。有趣的是，我们发现，塞贝克系数增长显着适应溶剂摩擦在这两个政权。
英文摘要：
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.
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