Computer simulation of polymer solar cells

Computer simulations are shown to be a powerful tool in predicting the response of polymer solar cells. In particular, we show how a drift-diffusion model can capture the transient behaviour of electron, hole and exciton concentrations in heterogeneous devices. Furthermore, computer simulations can reveal interesting new insights into the role of concentration fluxes and internal electric fields. We demonstrate this approach by considering bilayer devices but where the interface is sinusiodal, not planar. To highlight the predictive capabilities of these computer simulations we consider the systematic variation of device morphologies and the effect this has on photovoltaic performance. In this manner, we can correlate the device performance with the device's internal structure and predict how the polymer morphology might be tailored to meet photovoltaic needs.