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

Aleksandr A KurilovichVladimir N MantsevichYousof MardoukhiKeith J StevensonAleksei V ChechkinVladimir V Palyulin
Published in: Physical chemistry chemical physics : PCCP (2022)
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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