Energy harvesting at the nanoscale: From principles to functions

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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.