Using
kinetic Monte Carlo simulations, we present a reaction-diffusion model
to describe the impact of the morphology of the active layer and charge-transfer
lifetime on the bimolecular recombination kinetics in organic solar
cells. The morphologies we consider range from bilayers to bulk heterojunctions
with coarse and fine intercalated domains. We find that within the
morphologies simulated by the potential model, it is the density of
states that affects the order of bimolecular recombination kinetics.
The results show that the morphology of the active layer, modeled
by the potential model, only influences the average delay time between
the exciton dissociation and the onset of bimolecular recombination.
The results also indicate that the donor or acceptor domain size and
the degree of Gaussian disorder have very similar effects on the charge
recombination dynamics. Our findings suggest one possible way to explain
(i) why bimolecular recombination deviates from second-order (Langevin)
kinetics and (ii) why Langevin theory overestimates the bimolecular
rate constant.