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Electronic properties of nanosize GNRs: The role of the anchoring groups

  • T. García
  • , S. Rodríguez-Bolívar
  • , F. M.Gómez Campos
  • , J. E. Carceller
  • , J. A. López-Villanueva
  • , L. Álvarez De Cienfuegos
  • , A. Martín-Lasanta
  • , J. M. Cuerva
  • , E. Buñuel
  • , Diego J. Cardenas

Producción científica: Capítulo del libro/informe/acta de congresoContribución a la conferenciarevisión exhaustiva

Resumen

The electronic behavior of organic molecules, which could be considered as basic blocks of graphene nanoribbons, has been studied using Density Functional Theory and Non-Equilibrium Green Functions approaches. We have focused on the role that plays the molecule-metal contact, for this reason different configurations in the number and position of the contacts have been considered. We have noticed that the direct electron transport through the molecule is bigger than the diagonal one and the elimination of the -cloud in the central benzene of the anthracene molecule involves important changes in the behavior of the whole device.

Idioma originalInglés
Título de la publicación alojadaProceedings of the 8th Spanish Conference on Electron Devices, CDE'2011
DOI
EstadoPublicada - 12 may. 2011
Publicado de forma externa
Evento8th Spanish Conference on Electron Devices, CDE 2011 - Palma de Mallorca, Espana
Duración: 8 feb. 201111 feb. 2011

Serie de la publicación

NombreProceedings of the 8th Spanish Conference on Electron Devices, CDE'2011

Conferencia

Conferencia8th Spanish Conference on Electron Devices, CDE 2011
País/TerritorioEspana
CiudadPalma de Mallorca
Período8/02/1111/02/11

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