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Charge Transport in Imperfect Organic Field Effect Transistors: Effects of Explicit Defects and Electrostatics
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    Charge Transport in Imperfect Organic Field Effect Transistors: Effects of Explicit Defects and Electrostatics
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    Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania 15260
    †Part of the “Mark A. Ratner Festschrift”.
    * Corresponding author. E-mail: [email protected]
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    The Journal of Physical Chemistry C

    Cite this: J. Phys. Chem. C 2010, 114, 48, 20417–20423
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    https://doi.org/10.1021/jp104416a
    Published August 18, 2010
    Copyright © 2010 American Chemical Society

    Abstract

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    The effects of defects and electrostatics on charge transport in realistic organic field effect transistors were studied using a combination of first principles quantum chemistry calculations and Monte Carlo simulations with explicit introduction of defect sites. The results show that electrostatic interactions dramatically affect the field and carrier concentration dependence of charge transport in devices that include a significant number of traps, as well as its “switch-on” characteristics. Our results also show that charge transport decreases linearly as a function of neutral defect concentration as conduction pathways are turned off. For charged defects, mobility of imperfect devices is lower relative to defect-free devices but is surprisingly unaffected by the concentration of charged defects. The exact statistics of electrostatic disorder introduced by charged defects is found to obey a Poisson distribution rather than Gaussian or exponential as previously assumed. We also demonstrate that without including electrostatic interactions, simulations of transistors exhibit an unphysical negative differential resistance at higher defect levels.

    Copyright © 2010 American Chemical Society

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    Supporting Information

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    Computed values for λ, Hab and orbital energies, ISD vs defect concentration time profiles, and energy distribution plots. Source code for this work is available at http://hutchison.chem.pitt.edu/. This material is available free of charge via the Internet at http://pubs.acs.org.

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    The Journal of Physical Chemistry C

    Cite this: J. Phys. Chem. C 2010, 114, 48, 20417–20423
    Click to copy citationCitation copied!
    https://doi.org/10.1021/jp104416a
    Published August 18, 2010
    Copyright © 2010 American Chemical Society

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