Suitable models to simulate the mechanisms and characteristics of organic solar cells at the device level are still needed. We propose a coarse grain model to simulate the function and performance of Dye Sensitized Solar Cells (DSSCs) at the nanoscale. The coarse grain model can be used to trace transport mechanisms and calculate the relation between current intensity and voltage. It is the first time to simulate the charge generation and recombination processes and power conversion efficiencies of the DSSCs by molecular dynamic (MD) simulation at the device level. With this new method, we can analyze the factors determining the current intensity and the performances of DSSCs. The simulation results show that the power efficiencies of coarse grain model are of the same order of magnitude with real devices. We verify that the DSSCs coarse grain model is a promising method to study and predict the performance of photovoltaic devices.

Simulation of dye sensitized solar cells

244th National Meeting (2012)

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