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

doi:10.1109/SCED.2011.5744245

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

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

Abstract

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.

Original language	English
Title of host publication	Proceedings of the 8th Spanish Conference on Electron Devices, CDE'2011
DOIs	https://doi.org/10.1109/SCED.2011.5744245
State	Published - 12 May 2011
Externally published	Yes
Event	8th Spanish Conference on Electron Devices, CDE 2011 - Palma de Mallorca, Spain Duration: 8 Feb 2011 → 11 Feb 2011

Publication series

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

Conference

Conference	8th Spanish Conference on Electron Devices, CDE 2011
Country/Territory	Spain
City	Palma de Mallorca
Period	8/02/11 → 11/02/11

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10.1109/SCED.2011.5744245

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García, T., Rodríguez-Bolívar, S., Campos, F. M. G., Carceller, J. E., López-Villanueva, J. A., De Cienfuegos, L. Á., Martín-Lasanta, A., Cuerva, J. M., Buñuel, E., & Cardenas, D. J. (2011). Electronic properties of nanosize GNRs: The role of the anchoring groups. In Proceedings of the 8th Spanish Conference on Electron Devices, CDE'2011 Article 5744245 (Proceedings of the 8th Spanish Conference on Electron Devices, CDE'2011). https://doi.org/10.1109/SCED.2011.5744245

@inproceedings{206a872712444e969042e18ee6f7593f,

title = "Electronic properties of nanosize GNRs: The role of the anchoring groups",

abstract = "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.",

keywords = "DFT, NEGF, eigenchannel, graphene",

author = "T. Garc{\'i}a and S. Rodr{\'i}guez-Bol{\'i}var and Campos, \{F. M.G{\'o}mez\} and Carceller, \{J. E.\} and L{\'o}pez-Villanueva, \{J. A.\} and \{De Cienfuegos\}, \{L. {\'A}lvarez\} and A. Mart{\'i}n-Lasanta and Cuerva, \{J. M.\} and E. Bu{\~n}uel and Cardenas, \{Diego J.\}",

year = "2011",

month = may,

day = "12",

doi = "10.1109/SCED.2011.5744245",

language = "English",

isbn = "9781424478637",

series = "Proceedings of the 8th Spanish Conference on Electron Devices, CDE'2011",

booktitle = "Proceedings of the 8th Spanish Conference on Electron Devices, CDE'2011",

note = "8th Spanish Conference on Electron Devices, CDE 2011 ; Conference date: 08-02-2011 Through 11-02-2011",

}

García, T, Rodríguez-Bolívar, S, Campos, FMG, Carceller, JE, López-Villanueva, JA, De Cienfuegos, LÁ, Martín-Lasanta, A, Cuerva, JM, Buñuel, E & Cardenas, DJ 2011, Electronic properties of nanosize GNRs: The role of the anchoring groups. in Proceedings of the 8th Spanish Conference on Electron Devices, CDE'2011., 5744245, Proceedings of the 8th Spanish Conference on Electron Devices, CDE'2011, 8th Spanish Conference on Electron Devices, CDE 2011, Palma de Mallorca, Spain, 8/02/11. https://doi.org/10.1109/SCED.2011.5744245

Electronic properties of nanosize GNRs: The role of the anchoring groups. / García, T.; Rodríguez-Bolívar, S.; Campos, F. M.Gómez et al.
Proceedings of the 8th Spanish Conference on Electron Devices, CDE'2011. 2011. 5744245 (Proceedings of the 8th Spanish Conference on Electron Devices, CDE'2011).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

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AU - Rodríguez-Bolívar, S.

AU - Campos, F. M.Gómez

AU - Carceller, J. E.

AU - López-Villanueva, J. A.

AU - De Cienfuegos, L. Álvarez

AU - Martín-Lasanta, A.

AU - Cuerva, J. M.

AU - Buñuel, E.

AU - Cardenas, Diego J.

PY - 2011/5/12

Y1 - 2011/5/12

N2 - 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.

AB - 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.

KW - DFT

KW - NEGF

KW - eigenchannel

KW - graphene

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BT - Proceedings of the 8th Spanish Conference on Electron Devices, CDE'2011

Y2 - 8 February 2011 through 11 February 2011

ER -

García T, Rodríguez-Bolívar S, Campos FMG, Carceller JE, López-Villanueva JA, De Cienfuegos LÁ et al. Electronic properties of nanosize GNRs: The role of the anchoring groups. In Proceedings of the 8th Spanish Conference on Electron Devices, CDE'2011. 2011. 5744245. (Proceedings of the 8th Spanish Conference on Electron Devices, CDE'2011). doi: 10.1109/SCED.2011.5744245

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

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