Non-Markovian diffusion of excitons in layered perovskites and transition metal dichalcogenides

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Abstract

The diffusion of excitons in perovskites and transition metal dichalcogenides shows clear anomalous, subdiffusive behaviour in experiments. In this paper we develop a non-Markovian mobile-immobile model which provides an explanation of this behaviour through paired theoretical and simulation approaches. The simulation model is based on a random walk on a 2D lattice with randomly distributed deep traps such that the trapping time distribution involves slowly decaying power-law asymptotics. The theoretical model uses coupled diffusion and rate equations for free and trapped excitons, respectively, with an integral term responsible for trapping. The model provides a good fitting of the experimental data, thus, showing a way for quantifying the exciton diffusion dynamics.

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Kurilovich, A. A., Mantsevich, V. N., Mardoukhi, Y., Stevenson, K. J., Chechkin, A. V., & Palyulin, V. V. (2022). Non-Markovian diffusion of excitons in layered perovskites and transition metal dichalcogenides. Physical Chemistry Chemical Physics, 24(22), 13941–13950. https://doi.org/10.1039/d2cp00557c

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