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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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
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/737558395dc84779bb3673c335722787
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spelling	oai:doaj.org-article:737558395dc84779bb3673c3357227872021-12-02T15:35:09ZQuantum localization and delocalization of charge carriers in organic semiconducting crystals10.1038/s41467-019-11775-92041-1723https://doaj.org/article/737558395dc84779bb3673c3357227872019-08-01T00:00:00Zhttps://doi.org/10.1038/s41467-019-11775-9https://doaj.org/toc/2041-1723Existing 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.Samuele GianniniAntoine CarofMatthew EllisHui YangOrestis George ZiogosSoumya GhoshJochen BlumbergerNature PortfolioarticleScienceQENNature Communications, Vol 10, Iss 1, Pp 1-12 (2019)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Samuele Giannini Antoine Carof Matthew Ellis Hui Yang Orestis George Ziogos Soumya Ghosh Jochen Blumberger Quantum localization and delocalization of charge carriers in organic semiconducting crystals
description	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.
format	article
author	Samuele Giannini Antoine Carof Matthew Ellis Hui Yang Orestis George Ziogos Soumya Ghosh Jochen Blumberger
author_facet	Samuele Giannini Antoine Carof Matthew Ellis Hui Yang Orestis George Ziogos Soumya Ghosh Jochen Blumberger
author_sort	Samuele Giannini
title	Quantum localization and delocalization of charge carriers in organic semiconducting crystals
title_short	Quantum localization and delocalization of charge carriers in organic semiconducting crystals
title_full	Quantum localization and delocalization of charge carriers in organic semiconducting crystals
title_fullStr	Quantum localization and delocalization of charge carriers in organic semiconducting crystals
title_full_unstemmed	Quantum localization and delocalization of charge carriers in organic semiconducting crystals
title_sort	quantum localization and delocalization of charge carriers in organic semiconducting crystals
publisher	Nature Portfolio
publishDate	2019
url	https://doaj.org/article/737558395dc84779bb3673c335722787
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Quantum localization and delocalization of charge carriers in organic semiconducting crystals

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