Quantum localization and delocalization of charge carriers in organic semiconducting crystals

Existing transport models for organic semiconductors are limited in their ability to accurately describe the transport mechanisms in these materials. Here, the authors report the fragment-orbital based surface hopping method for predicting charge transport in crystalline organic semiconductors.

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Detalles Bibliográficos
Autores principales: Samuele Giannini, Antoine Carof, Matthew Ellis, Hui Yang, Orestis George Ziogos, Soumya Ghosh, Jochen Blumberger
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2019
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Acceso en línea:https://doaj.org/article/737558395dc84779bb3673c335722787
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Descripción
Sumario:Existing transport models for organic semiconductors are limited in their ability to accurately describe the transport mechanisms in these materials. Here, the authors report the fragment-orbital based surface hopping method for predicting charge transport in crystalline organic semiconductors.