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An ab initio study on gas sensing properties of graphene and Si-doped graphene.

Authors :
Zou, Y.
Li, F.
Zhu, Z.
Zhao, M.
Xu, X.
Su, X.
Source :
European Physical Journal B: Condensed Matter. Jun2011, Vol. 81 Issue 4, p475-479. 5p. 2 Diagrams, 1 Chart, 2 Graphs.
Publication Year :
2011

Abstract

In order to exploit the potential applications of graphene as gas sensors, the adsorptions of a series of small gas molecules (such as CO, O, NO and HO) on pristine graphene (PG) and Si-doped graphene (SiG) have been investigated by ab initio calculations. Our results indicate that the electronic properties of PG are sensitive to O and NO molecules, but not changed much by the adsorption of CO and HO molecules. Compared with PG, SiG is much more reactive in the adsorption of CO, O, NO and HO. The strong interactions between SiG and the adsorbed molecules induce dramatic changes to the electronic properties of SiG. Therefore, we suggest that SiG could be a good gas sensor for CO, O, NO and HO. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
14346028
Volume :
81
Issue :
4
Database :
Academic Search Index
Journal :
European Physical Journal B: Condensed Matter
Publication Type :
Academic Journal
Accession number :
62255268
Full Text :
https://doi.org/10.1140/epjb/e2011-20225-8