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We derived new expressions for the diffusion length of singlet and triplet excitons by using the Föster and Dexter transfer mechanisms, respectively, and have found that the diffusion lengths of singlet and triplet excitons are comparable. By using the Langevin recombination theory, we derived the rate of recombination of dissociated free charges into their excitonic states. We found that in some organic polymers the probabilities of recombination of free charge carriers back into the singlet and triplet states are approximately 65.6 and 34.4 %, respectively, indicating that Langevin-type recombination into triplet excitons in organic semiconductors is less likely. This implies that the creation of triplet excitons may be advantageous in organic solar cells, because this may lead to dissociated free charge carriers that can be collected at their respective electrodes, which should result in better conversion efficiency.

An alternative approach to simulate the power conversion efficiency (η PCE) of bulk heterojunction organic solar cells (BHJ OSCs), as a product of efficiencies of absorption (η abs), dissociation (η dis), and extraction (η ext), is presented. Although η abs and η dis do not directly contribute to the simulation of η PCE , the approach enables us in understanding their roles in optimizing the power conversion efficiency of BHJ OSCs. This method is applied to simulate η PCE as a function of the thickness of active layer for three different BHJ OSC structures, one with a fullerene acceptor and two with two different nonfullerene acceptors. The results are found to be in good agreement with those from the previous simulation and experimental works and are expected to be useful in optimizing the thickness of the active layer.