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.
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Meng et al. (2011) studied this question.