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Gas adsorption on graphene doped with B, N, Al, and S: A theoretical study
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 NO2.
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Cited by
Catalysis with two-dimensional materials and their heterostructures
Deng, D., Novoselov, K. S., Fu, Q., Zheng, N., Tian, Z., & Bao, X. (2016) · Nature Nanotechnology · doi:10.1038/nnano.2015.340 · Cited by 2,308
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Recent advances in graphene based gas sensors
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Graphene-based smart materials
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Adsorption of gas molecules on monolayer MoS2 and effect of applied electric field
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Metadata
- Authors
- Dai, J., Yuan, J., & Giannozzi, P.
- Venue
- Applied Physics Letters
- Publisher
- AIP Publishing
- Published
- 2009-12-07
- Volume
- 95
- Issue
- 23
- ISSN
- 0003-6951 (ISSN-L)
- 1077-3118
- OpenAlex
- W1982563532
- Cited by
- 734
- References
- 6
- FWCI
- 8.93
- Type
- journal article
- Language
- en
- Open access
- closed
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