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

这项建议有三个主要目标：(i)将我们的新开放系统方法应用于具有独立化学势和温度的双导联装置，以研究通过强相关纳米结的电荷和热传输；（ii）将该方法扩展到分子光电池（iii），并使用该开放量子系统方法通过从原始连续介质模型导出的储层耦合函数来确定局部谱函数的寿命效应。我们的方法结合了Wilson的重整化群和Bloch-Redfield主方程，该主方程编码了边界条件，如温度梯度和施加的偏置电压。这允许计算电流-电压特性以及塞贝克和佩利埃系数。后者通常定义为线性响应。在这里，我们可以将热流扩展到远非平衡状态。此外，布洛赫-雷德菲尔德方法允许在马尔可夫近似中简单地描述光子吸收过程，并在主方程中添加另一个源项。我们将把当前一代的目标放在分子光电池上。

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.