The Chameleonic Nature of Electron Transport through π-Stacked Systems.

The article presents a study which examines the properties of electron transport in π-stacked benzene rings through metallic electrodes. The study made transport calculations using green-density functional tight binding (gDFTB ), along with density functional theory with an exchange-correlation func...

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Detalles Bibliográficos
Publicado en:	Journal of the American Chemical Society Vol. 132; no. 23; pp. 7887 - 7890
Autores principales:	Solomon, Gemma C., Herrmann, Carmen, Vura-Weis, Josh, Wasielewski, Michael R., Ratner, Mark A.
Formato:	Artículo
Publicado:	American Chemical Society 6/16/2010
Materias:	Electron transport Molecules Benzene Electrodes Density functionals
Acceso en línea:	Ver este registro en EBSCOhost

Descripción
Sumario:	The article presents a study which examines the properties of electron transport in π-stacked benzene rings through metallic electrodes. The study made transport calculations using green-density functional tight binding (gDFTB ), along with density functional theory with an exchange-correlation functional suited for intermolecular interactions. Results show that spatial dislocation lessens the energy window in sites where maximum resonant transmission is detected.