Tuning the Charge-Transport Parameters of Perylene Diimide Single Crystals via End and/or Core Functionalization: A Density Functional Theory Investigation.

Perylene tetracarboxylic diimide (PTCDI) derivatives stand out as one of the most investigated families of air-stable n-type organic semiconductors for organic thin-film transistors. Here, we use density functional theory to illustrate how it is possible to control the charge-transport parameters of...

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Publicado en:	Journal of the American Chemical Society Vol. 132; no. 10; pp. 3375 - 3388
Autores principales:	Delgado, M. Carmen Ruiz, Eung-Gun Kim, da Silva Filho, Demétrio A., Bredas, Jean-Luc
Formato:	Artículo
Publicado:	American Chemical Society 3/17/2010
Materias:	Perylene Organic semiconductors Functional analysis Aromatic compounds Halocarbons Semiconductors
Acceso en línea:	Ver este registro en EBSCOhost