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