Probabilistic modeling of energy transfer in disordered organic semiconductors

Abstract

The non-radiative energy transfer process governs the transport of excitons in organic semiconductors, directly affecting the performance of organic optoelectronic devices. Successful models describe this transfer in terms of energy donor–acceptor pair sites, in contrast to experimental photophysical properties, which reflect the average behavior of the molecular ensemble. In this study, an energetic and spatial probability density function is proposed to determine the average non-radiative energy rate for homotransfer processes. This approach considers the energetic-spatial distribution typical of disordered semiconducting polymers. The average homotransfer rate is significantly dependent on the energy of the donor site, allowing the identification of the photophysical process most likely to occur. Values of the order of 1011 s−1 were predicted and are consistent with experimental results. This approach was used to evaluate how the energy transfer efficiency in heterostructures is affected by the energy and position of the energy donor site. The model presented in this study can be explored in other organic systems to investigate exciton transport mechanisms in new organic optoelectronic device architectures.