Accurate and fast master equation modeling of triplet-triplet annihilation in organic phosphorescent emission layers including correlations

Triplet-triplet annihilation (TTA) in phosphorescent emission layers of modern organic light-emitting diodes compromises their performance and device lifetime. TTA can occur by a Forster-type interaction between two triplets, leading to a loss of one of them. The TTA process gives rise to correlations in the positions of the surviving triplets, which complicate its study. These correlations can in principle be accounted for exactly in kinetic Monte Carlo (KMC) simulations, but such simulations are computationally expensive. Here, we present master equation modeling of TTA that accounts for correlations in a computationally efficient way. Cases without and with triplet diffusion, which partly washes out correlations, are considered. We calculate the influence of TTA on transient photoluminescence experiments, where it leads to a deviation from exponential decay, and on steady-state emission efficiency. A comparison with KMC simulations shows that our master equation modeling is an accurate and computationally competitive alternative.

Automated summary

The study investigates triplet-triplet annihilation (TTA) in modern organic light-emitting diodes and proposes a master equation modeling approach to efficiently account for correlations. It was found that TTA affects the results of transient photoluminescence experiments and steady-state emission efficiency. A comparison with kinetic Monte Carlo simulations indicates that the master equation modeling is an accurate and computationally competitive alternative.