期刊
APPLIED PHYSICS LETTERS
卷 95, 期 23, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.3272008
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资金
- National Natural Science Foundation of China [10734140, 60621003]
- National Basic Research Program of China (973 Program) [2007CB815105]
- National High-Tech ICF Committee in China
- Progetto Regionale NANOCAT
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 NO(2) bind to B-doped graphene, while only NO(2) binds to S-doped graphene. Al-doped graphene is much more reactive and binds many more gases, including O(2). We suggest that B- and S-doped graphene could be a good sensor for polluting gases such as NO and NO(2). (C) 2009 American Institute of Physics. [doi: 10.1063/1.3272008]
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