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Enhancing charge mobilities in organic semiconductors by selective fluorination: a design approach based on a quantum mechanical perspective

Selective fluorination of organic semiconducting molecules is proposed as a means to achieving enhanced hole mobility. Naphthalene is examined here as a root molecular system with fluorination performed at various sites. Our quantum chemical calculations show that selective fluorination can enhance...

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Detalles Bibliográficos
Autores principales: Maiti, Buddhadev, Schubert, Alexander, Sarkar, Sunandan, Bhandari, Srijana, Wang, Kunlun, Li, Zhe, Geva, Eitan, Twieg, Robert J., Dunietz, Barry D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Royal Society of Chemistry 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5642104/
https://www.ncbi.nlm.nih.gov/pubmed/29147520
http://dx.doi.org/10.1039/c7sc02491f