A microscopic model for the behavior of nanostructured organic photovoltaic devices

A Monte Carlo model of carrier separation and recombination in nanostructured organic photovoltaic (OPV) devices which takes into account all electrostatic interactions, energetic disorder, and polaronic effects is presented. The model predicts that an idealized interdigitated morphology could double the carrier collection efficiency achieved in a blend and also suggests that the maximum power output is extremely sensitive both to the geminate recombination rate across the heterojunction and to carrier mobility.