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

Author

García, T. ; Rodríguez-Bolívar, S. ; Campos, F. M Gómez ; Carceller, J.E. ; López-Villanueva, J.A. ; De Cienfuegos, L. Alvarez ; Martin-Lasanta, A. ; Cuerva, J.M. ; Bunuel, E. ; Cárdenas, Diego J.

Author_Institution

Dept. of Electron. & Comput. Technol., UGR, Granada, Spain

fYear

2011

fDate

8-11 Feb. 2011

Firstpage

1

Lastpage

4

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 π-cloud in the central benzene of the anthracene molecule involves important changes in the behavior of the whole device.

Keywords

Fermi level; Green´s function methods; density functional theory; graphene; nanostructured materials; C; anchoring groups; anthracene molecule; benzene; density functional theory; electron transport; electronic properties; molecule-metal contact; nanosize graphene nanoribbons; nonequilibrium Green function approach; Gold; Green function; Junctions; Scattering; Transistors; Wave functions; DFT; NEGF; eigenchannel; graphene;

fLanguage

English

Publisher

ieee

Conference_Titel

Electron Devices (CDE), 2011 Spanish Conference on

Conference_Location

Palma de Mallorca

Print_ISBN

978-1-4244-7863-7

Type

conf

DOI

10.1109/SCED.2011.5744245

Filename

5744245