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

Author

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

Author_Institution

Dept. of Org. Chem., Univ. of Granada, Granada, Spain

fYear

2010

fDate

26-29 Oct. 2010

Firstpage

1

Lastpage

4

Abstract

In this work we have studied the electronic behavior of organic molecules that could be considered as basic blocks of graphene nanoribbons. We have focused on the role that plays the molecule-metal contact. Thus, the influence of the number and positions of those contacts is analyzed. To carry out the calculation we have used the Density Functional Theory and Non-Equilibrium Green Functions Approach.

Keywords

Green´s function methods; density functional theory; graphene; molecular electronics; nanostructured materials; C; anchoring groups; density functional theory; electronic properties; graphene nanoribbons; molecule-metal contact; nonequilibrium Green functions; organic molecules; Conductivity; Density functional theory; Electrodes; Gold; Green function; Junctions; Shape; conductivity; eigenchannels; graphene nanoribbons; molecular electronics; transmission;

fLanguage

English

Publisher

ieee

Conference_Titel

Computational Electronics (IWCE), 2010 14th International Workshop on

Conference_Location

Pisa

Print_ISBN

978-1-4244-9383-8

Type

conf

DOI

10.1109/IWCE.2010.5677961

Filename

5677961