Non-equilibrium charge and heat transport in driven molecular junctions and molecular photocells

这个提议有三个主要目标：(I)将我们的新的开放系统方法应用于具有独立化学势和温度的双引线装置，以研究通过强关联纳米结的电荷和热的输运；(Ii)将该方法扩展到分子光电池(Iii)，并使用该开放系统方法通过从原始连续介质模型得到的库的耦合函数来确定局域光谱函数中的寿命效应。我们的方法结合了威尔逊重整化群和Bloch-Redfield主方程，该主方程编码了温度梯度和外加偏置电压等边界条件。这使得可以计算电流-电压特性以及Seebeck和Pelier系数。后者通常在线性响应机制中定义。在这里，我们能够将热流扩展到遥远的非平衡区。此外，Bloch-Redfield方法允许在马尔可夫近似下通过在主方程中添加另一个源项来容易地描述光子吸收过程。我们将针对当前一代的分子光电池。

This proposal has three major objectives: (i) apply our novel open system approach to a two-lead setup with independent chemical potentials and temperatures in each lead to investigate the charge and heat transport through strongly correlated nano-junctions, (ii) extending the approach to molecular photocells (iii) and use this open quantum system approach to determine life-time effects in local spectral functions by the coupling functions to reservoirs which have been derived from the original continuum model. Our approach combines Wilson's renormalization group with a Bloch-Redfield master equation which encodes the boundary conditions such as the temperature gradient and the applied bias voltage. This allows to calculate current-voltage characteristics as well as Seebeck and Pelier coefficient. Latter are usually defined in the linear response regime. Here we are able to extent the heat current to the far non-equilibrium regime. Furthermore, the Bloch-Redfield approach allows for an easy description of photon absorption processes in a Markov approximation be adding another source term to the master equation. We will target the current generation on molecular photocells.