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Abstract: We performed direct calculations of carrier hopping rates in stronglydisordered conjugated polymers based on the atomic structure of the system, thecorresponding electronic states and their coupling to all phonon modes. Wefound that the dependence of hopping rates on distance and the dependence ofthe mobility on temperature are significantly different than the ones stemmingfrom the simple Miller-Abrahams model, regardless of the choice of theparameters in the model. A new model that satisfactorily describes the hoppingrates in the system and avoids the explicit calculation of electron-phononcoupling constants was then proposed and verified. Our results indicate that,in addition to electronic density of states, the phonon density of states andthe spatial overlap of the wavefunctions are the quantities necessary toproperly describe carrier hopping in disordered conjugated polymers.



Autor: Nenad~Vukmirović, Lin-Wang Wang

Fuente: https://arxiv.org/



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