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Marcos Andre Pereira dos Santos, Wiliam Ferreira da Cunha, Pedro Henrique de Oliveira Neto and Geraldo Magela e Silva Influence of bipolaron density on the transport properties of thermalized organic conductors International Journal of Quantum Chemistry 113

Version of Record online: 26 JUN 2013 | DOI: 10.1002/qua.24501

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Quasiparticles named bipolarons mediate charge transport in organic semiconductors. Devoid of an easy phenomenological model to understand the extended band picture, computational modeling of transport in organic semiconductors is needed. This work studies the influence of charge carrier density in polyacetylene. The quasiparticle interaction and temperature play a significant role in the system dynamics, resulting in a higher mobility with density. Good agreement with experimental data is found.

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