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Analytic Model of Nonequilibrium Charge Transport in Disordered Organic Semiconductors with Combined Energy and Off-Diagonal Disorder

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    C: Energy Conversion and Storage

    Analytic Model of Nonequilibrium Charge Transport in Disordered Organic Semiconductors with Combined Energy and Off-Diagonal Disorder
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    The Journal of Physical Chemistry C

    Cite this: J. Phys. Chem. C 2021, 125, 37, 20230–20240
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    https://doi.org/10.1021/acs.jpcc.1c06807
    Published September 9, 2021
    Copyright © 2021 American Chemical Society
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    Abstract

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    The developed generalized analytic model of charge transport in disordered matter describes self-consistently the drift and diffusion of charge carriers, includes the nonequilibrium regime, and incorporates both energy and off-diagonal (structural) disorder. The model makes it possible to accurately describe the anomalously wide transient current “tails” observed in time-of-flight experiments over wide ranges of temperature and electric field strength. Explicitly considering the off-diagonal disorder provides a more accurate description of the energy distribution of states and other parameters of the materials. The disorder contains information about the ratio of carrier diffusion coefficient to carrier mobility and characterizes the fraction of deeper localized states that inhibit mobility.

    Copyright © 2021 American Chemical Society

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    Supporting Information

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    The Supporting Information is available free of charge at https://pubs.acs.org/doi/10.1021/acs.jpcc.1c06807.

    • Derivation of the equation for the concentration of charge carriers in a nonequilibrium transport mode, taking into account the off-diagonal disorder, and its solution; calculation of the transient current for the conditions of the time-of-flight experiment; determination of the effective concentration of “conducting” states; calculation of the mobility and field diffusion coefficient for the Gaussian distribution of traps; additional calculation results for the temperature T = 180 K (PDF)

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    This article is cited by 3 publications.

    1. Robert F. Catuto, Hsing-Ta Chen. Interplay between static and dynamic disorder: Contrasting effects on dark state population inside a cavity. The Journal of Chemical Physics 2025, 162 (20) https://doi.org/10.1063/5.0270892
    2. S.D. Baranovskii, A.V. Nenashev, D. Hertel, K. Meerholz, F. Gebhard. Parametrization of the charge-carrier mobility in organic disordered semiconductors. Physical Review Applied 2024, 22 (1) https://doi.org/10.1103/PhysRevApplied.22.014019
    3. Ya. V. Burdakov, A. Yu. Saunina, H. Bässler, A. Köhler, V. R. Nikitenko. Modeling of charge transport in polymers with embedded crystallites. Physical Review B 2023, 108 (8) https://doi.org/10.1103/PhysRevB.108.085301
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    The Journal of Physical Chemistry C

    Cite this: J. Phys. Chem. C 2021, 125, 37, 20230–20240
    Click to copy citationCitation copied!
    https://doi.org/10.1021/acs.jpcc.1c06807
    Published September 9, 2021
    Copyright © 2021 American Chemical Society
    Request reuse permissions

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