Adsorption of NH[sub 3] and NO[sub 2] molecules on carbon nanotubes

Chang, Hyunju; Lee, Jae Do; Lee, Seung Mi; Lee, Young Hee
December 2001
Applied Physics Letters;12/3/2001, Vol. 79 Issue 23, p3863
Academic Journal
Adsorption of NH[sub 3] and NO[sub 2] molecules on semiconducting single-walled carbon nanotubes is investigated using density functional theory. Both NH[sub 3] and NO[sub 2] molecules are found to bind to carbon nanotubes via physisorption. Electron charge transfer is found to be a major mechanism determining the conductivity change in carbon nanotubes upon exposure to NH[sub 3] and NO[sub 2] molecules. The calculated density of states is also considered to elucidate the differences in the NO[sub 2] and NH[sub 3] gas detection mechanism of carbon nanotubes. © 2001 American Institute of Physics.


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