Charge carrier transport in molecularly doped polycarbonate as a test case for the dipolar glass model. Journal of Chemical Physics Volume 138, Issue 10, 14 March 2013, Article number 104120

14 сентября 2018
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Контактные данные автора публикации Novikov, S.V.ab , Tyutnev, A.P.c a A.N. Frumkin Institute of Physical Chemistry and Electrochemistry, National Research Nuclear University MEPhI, Leninsky prosp. 31, Moscow 119991, Russian Federation b Kashirskoe Sch. 31, Moscow 115409,
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We present the results of Monte Carlo simulations of the charge carrier transport in a disordered molecular system containing spatial and energetic disorders using the dipolar glass model. Model parameters of the material were chosen to fit a typical polar organic photoconductor polycarbonate doped with 30 of aromatic hydrazone, whose transport properties are well documented in literature. Simulated carrier mobility demonstrates a usual Poole-Frenkel field dependence and its slope is very close to the experimental value without using any adjustable parameter. At room temperature transients are universal with respect to the electric field and transport layer thickness. At the same time, carrier mobility does not depend on the layer thickness and transients develop a well-defined plateau where the current does not depend on time, thus demonstrating a non-dispersive transport regime. Tails of the transients decay as power law with the exponent close to -2. This particular feature indicates that transients are close to the boundary between dispersive and non-dispersive transport regimes. Shapes of the simulated transients are in very good agreement with the experimental ones. In summary, we provide a first verification of a self-consistency of the dipolar glass transport model, where major transport parameters, extracted from the experimental transport data, are then used in the transport simulation, and the resulting mobility field dependence and transients are in very good agreement with the initial experimental data. © 2013 American Institute of Physics.


Indexed keywords

Adjustable parameters; Experimental datum; Experimental values; Monte Carlo simulations; Organic photoconductors; Simulated transients; Transport parameters; Transport simulation
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