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Physical Review Applied
Article . 2018 . Peer-reviewed
License: APS Licenses for Journal Article Re-use
Data sources: Crossref
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Three-Dimensional Modeling of Bipolar Charge-Carrier Transport and Recombination in Disordered Organic Semiconductor Devices at Low Voltages

Authors: Liu, Feilong; van Eersel, Harm; Bobbert, Peter A.; Coehoorn, Reinder;

Three-Dimensional Modeling of Bipolar Charge-Carrier Transport and Recombination in Disordered Organic Semiconductor Devices at Low Voltages

Abstract

The electroluminescence from organic light-emitting diodes can be predicted with molecular-scale resolution using three-dimensional kinetic Monte Carlo (3D KMC) simulations [M. Mesta et al., Nat. Mater. 12, 652 (2013)]. However, around and below the built-in voltage KMC simulations are computationally inefficient. 3D master-equation (3D ME) simulation methods, which are fastest for low voltages, are so far mainly available for describing unipolar charge transport. In such simulations, the charge-carrier interactions are treated within a mean-field approach. It is not a priori evident whether such simulations, when applied to bipolar devices, can be extended to include the Coulomb attraction between the individual electrons and holes, so that charge-carrier recombination is sufficiently well described. In this work, we develop a systematic method for extending 3D ME simulations to bipolar devices. The method is applied to devices containing materials with Gaussian energetic disorder, and validated by a comparison with the results of 3D KMC simulations. The comparison shows that the 3D nonuniformity of the molecular-site-resolved carrier concentration and the one-dimensional layer-averaged profile of the recombination rate are fully retained, and that the 3D nonuniformity of the molecular-site-resolved recombination rate is fairly well retained.

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
15
Top 10%
Top 10%
Top 10%
bronze