@article{KurilovichMantsevichMardoukhietal.2022, author = {Kurilovich, Aleksandr A. and Mantsevich, Vladimir N. and Mardoukhi, Yousof and Stevenson, Keith J. and Chechkin, Aleksei and Palyulin, Vladimir V.}, title = {Non-Markovian diffusion of excitons in layered perovskites and transition metal dichalcogenides}, series = {Physical chemistry, chemical physics : a journal of European Chemical Societies}, volume = {24}, journal = {Physical chemistry, chemical physics : a journal of European Chemical Societies}, number = {22}, publisher = {Royal Society of Chemistry}, address = {Cambridge}, issn = {1463-9076}, doi = {10.1039/d2cp00557c}, pages = {13941 -- 13950}, year = {2022}, 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.}, language = {en} } @article{KurilovichMantsevichStevensonetal.2020, author = {Kurilovich, Aleksandr A. and Mantsevich, Vladimir and Stevenson, Keith J. and Chechkin, Aleksei V. and Palyulin, V. V.}, title = {Complex diffusion-based kinetics of photoluminescence in semiconductor nanoplatelets}, series = {Physical chemistry, chemical physics : a journal of European Chemical Societies}, volume = {22}, journal = {Physical chemistry, chemical physics : a journal of European Chemical Societies}, number = {42}, publisher = {Royal Society of Chemistry}, address = {Cambridge}, issn = {1463-9076}, doi = {10.1039/d0cp03744c}, pages = {24686 -- 24696}, year = {2020}, abstract = {We present a diffusion-based simulation and theoretical models for explanation of the photoluminescence (PL) emission intensity in semiconductor nanoplatelets. It is shown that the shape of the PL intensity curves can be reproduced by the interplay of recombination, diffusion and trapping of excitons. The emission intensity at short times is purely exponential and is defined by recombination. At long times, it is governed by the release of excitons from surface traps and is characterized by a power-law tail. We show that the crossover from one limit to another is controlled by diffusion properties. This intermediate region exhibits a rich behaviour depending on the value of diffusivity. The proposed approach reproduces all the features of experimental curves measured for different nanoplatelet systems.}, language = {en} }