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

驱动分子结和分子光电池中的非平衡电荷和热传输

• 批准号: 498305646
• 负责人: Professor Dr. Frithjof B. Anders
• 金额: --
• 依托单位: Lehrstuhl für Theoretische Physik II (aufgelöst)
• 依托单位国家: 德国
• 项目类别: Research Grants
• 资助国家: 德国
• 项目状态: 未结题
• 来源: https://gepris.dfg.de/gepris/projekt/498305646?language=en
• 关键词: Non; equilibrium; charge; heat; transport

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.

这项建议有三个主要目标：（i）将我们的新的开放系统方法应用于在每个引线中具有独立化学势和温度的两引线设置，以研究通过强相关纳米结的电荷和热传输，（ii）将方法扩展到分子光电池（iii）并使用这种开放量子系统方法来确定寿命-由原始连续介质模型导出的储层耦合函数在局部谱函数中的时间效应。 我们的方法结合了威尔逊的重整化群与布洛赫Redfield主方程编码的边界条件，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Seebeck和Pelier系数。后者通常定义在线性响应范围内。在这里，我们能够将热流扩展到远非平衡状态。此外，布洛赫-雷德菲尔德方法通过在主方程中添加另一个源项，可以在马尔科夫近似中轻松描述光子吸收过程。 我们将把目标放在分子光电池上。