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Multiscale modeling and simulation for optimizing polymer bulk heterojunction solar cells

By Wei FN(魏发南), Liming Liu, Liu LQ(刘连庆) and Li GY(李广勇)

Abstract

Optimizing polymer bulk heterojunction solar cells requires a fine tune over the thickness, weight ratio, and the morphology because of the strong coupling among light absorption, exciton dissociation, and charge carrier transport within bulk heterojunctions. Without guidance from modeling and simulation, it will be a daunting challenge to optimize the device performance. In this paper, we present a multiscale modeling and simulation approach by integrating the Monte Carlo simulation, the optical absorption calculation, and the macroscopic device simulation. Such integration accounts for multiscale aspects of the bulk heterojunctions in polymer solar cells, which is not possible by any individual method alone. For the first time, we are able to predict the best device performance by simultaneously optimizing the thickness of the active layer, the nanoscale morphology of the bulk heterojunctions, and the donor/acceptor weight ratio through the multiscale simulation. © 2011-2012 IEEE

Topics: Computer Simulation, Light Absorption, Monte Carlo Methods, Morphology, Optimization, Polymers, Solar Cells, Science & Technology, Technology, Physical Sciences, Energy & Fuels, Materials Science, Multidisciplinary, Physics, Applied, OPEN-CIRCUIT VOLTAGE, MONTE-CARLO-SIMULATION, ORGANIC THIN-FILMS, PHOTOVOLTAIC CELLS, EINSTEIN RELATION, RECENT PROGRESS, MORPHOLOGY, PERFORMANCE, DEPENDENCE, EFFICIENCY, Energy & Fuels, Materials Science, Physics
Year: 2013
DOI identifier: 10.1109/pvsc-vol2.2013.6656794
OAI identifier: oai:ir.sia.cn/:173321/10634
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