We describe a new dynamic Monte Carlo model to simulate the operation of a polymer-blend solar cell; this model provides major improvements with respect to the one we developed earlier [J. Phys. Chem. B 114, 36 (2010)] by incorporating the Poisson equation and a charge thermoactivation mechanism. The advantage of the present approach is its capacity to deal with a nonuniform electrostatic potential that dynamically depends on the charge distribution. In this way, the unbalance in electron and hole mobilities and the space-charge induced potential distribution can be treated explicitly. Simulations reproduce well the experimental I-V curve in the dark and the open-circuit voltage under illumination of a polymer-blend solar cell. The dependence of the photovoltaic performance on the difference in electron and hole mobilities is discussed.
An improved dynamic Monte Carlo model coupled with Poisson equation to simulate the performance of organic photovoltaic devices
Lingyi Meng, Dong Wang, Qikai Li, Yuanping Yi, Jean-Luc Brédas, Zhigang Shuai; An improved dynamic Monte Carlo model coupled with Poisson equation to simulate the performance of organic photovoltaic devices. J. Chem. Phys. 28 March 2011; 134 (12): 124102. https://doi.org/10.1063/1.3569130
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