Exciton transport in organic semiconductors: Förster resonance energy transfer compared with a simple random walk

Förster resonance energy transfer theory (FRET) and a simple random walk (RW) are both implemented in a dynamic Monte Carlo simulation with the aim of determining the exciton diffusion length from photoluminescence (PL) measurements. The calculated diffusion lengths obtained from both models are shown to be the same. As such, given that the computational time of a random walk is typically 2-3 orders of magnitude smaller than the FRET approach, this work shows that the RW methodology can be a preferable model for the determination of diffusion lengths. We also show that the RW approach may also be implemented in Monte Carlo simulations that describe organic solar cells. Despite the fact that (compared with FRET) RW does not account for non-nearest neighbor hopping or energy relaxation, we show that the resulting overestimation of the simulated current will not exceed 2% for typical OPV parameters. In addition, by taking advantage of the gain in speed we are able to investigate the impact of the exciton diffusion length on the optimal interface distance and show that materials with longer exciton diffusion lengths are less sensitive to variations in the morphology of the active layer of an organic solar cell