Gas adsorption on graphene doped with B, N, Al, and S: A theoretical study
- 7 December 2009
- journal article
- Published by AIP Publishing in Applied Physics Letters
- Vol. 95 (23)
- https://doi.org/10.1063/1.3272008
Abstract
The adsorption of several common gas molecules over boron-, nitrogen-, aluminum-, and sulfur-doped graphene was theoretically studied using density-functional theory. B- and N-doped graphene retain a planar form, while Al and S atoms protrude out of the graphene layer. We find that only NO and NO2 bind to B-doped graphene, while only NO2 binds to S-doped graphene. Al-doped graphene is much more reactive and binds many more gases, including O2. We suggest that B- and S-doped graphene could be a good sensor for polluting gases such as NO and NOKeywords
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