A first-principles study on edge doping of armchair graphene nanoribbon

Author

Lam, Kai Tak ; Liang, Gengchiau

Author_Institution

Dept. of Electr. & Comput. Eng., Nat. Univ. of Singapore, Singapore

fYear

2008

fDate

24-27 March 2008

Firstpage

109

Lastpage

111

Abstract

We present our ab initio calculations on the edge-doping effects of graphene nanoribbon (GNR) with hydrogen passivated armchair edges. Boron [nitrogen] atoms are introduced to the GNR by substituting carbon atoms at the edges. Initial introduction of boron [nitrogen] atom decreases [increases] the Fermi level of the armchair GNR (AGNR), creating a p-type [n-type] semiconductor. Higher concentration of boron [nitrogen] atoms further decreases [increases] the Fermi level. Based on these observation, a p-i-n AGNR heterstructure is simulated and the transmission coefficient and current-voltage characteristic are also calculated.

Keywords

Fermi level; ab initio calculations; boron; carbon; elemental semiconductors; nanostructured materials; nitrogen; semiconductor doping; semiconductor heterojunctions; C:H,B; C:H,N; Fermi level; ab initio calculations; armchair graphene nanoribbon; current-voltage characteristic; edge doping; first-principles calculations; hydrogen passivation; n-type semiconductor; p-i-n AGNR heterstructure; p-type semiconductor; transmission coefficient; Doping; Nanoelectronics;

fLanguage

English

Publisher

ieee

Conference_Titel

Nanoelectronics Conference, 2008. INEC 2008. 2nd IEEE International

Conference_Location

Shanghai

Print_ISBN

978-1-4244-1572-4

Electronic_ISBN

978-1-4244-1573-1

Type

conf

DOI

10.1109/INEC.2008.4585448

Filename

4585448