Energy harvesting at the nanoscale: From principles to functions

我们计划的目标是建立模型，开发理论方法和计算实现，建议新的功能，并优化在纳米级运行的能量转换系统的性能。令人感兴趣的换能器是光伏电池、热电结和热机，如热泵和冰箱，由单分子、量子点、薄膜、有机异质结等物理化学成分制成。我们的计划是使用简单的模型，重点研究这些系统中电荷和能量载流子的动力学，并询问量子效应对传输率、损耗过程、涨落、电流以及功率输出和效率的作用。感兴趣的系统的一个中心方面是，参与粒子的动力学，从而产生的操作，强烈地受到电子和非电子自由度之间的相互作用的影响，后者包括分子的核运动、辐射场和其他集体激发。我们工作的另一个重要方面是，它本质上与传统热力学的设置不同，因为量子效应和操作系统与其热环境之间的强烈相互作用可能控制着动力学。

The objectives of our program is to build models, develop theoretical methodologies and computational implementations, suggest new functions, and optimize performance of energy conversion systems operating at the nanoscale. Transducers of interest are photovoltaic cells, thermoelectric junctions, and heat engines such as heat pumps and refrigerators, made from physical-chemical components such as single molecules, quantum dots, thin films, organic hetero-junctions. Using simple models, our plan is to focus on the dynamics of charge and energy carriers in these systems, and interrogate the role of quantum effects on transfer rates, loss processes, fluctuations, currents, and power output and efficiency. A central aspect of systems of interest is that the dynamics of participating particles, thus the resulting operation, is strongly affected by the interaction between electronic and nonelectronic degrees of freedom, the latter comprising nuclear motion of molecules, radiation fields, and other collective excitations. Another nontrivial aspect of our work is that it inherently departs from the setting of traditional thermodynamics since quantum effects and strong interactions between the operating system and its thermal environment may govern the dynamics.