Abstract

Adsorption of NH3 and NO2 molecules on semiconducting single-walled carbon nanotubes is investigated using density functional theory. Both NH3 and NO2 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 NH3 and NO2 molecules. The calculated density of states is also considered to elucidate the differences in the NO2 and NH3 gas detection mechanism of carbon nanotubes.

Keywords

PhysisorptionCarbon nanotubeAdsorptionMoleculeSelective chemistry of single-walled nanotubesDensity functional theoryChemical physicsMaterials scienceCarbon fibersOptical properties of carbon nanotubesNanotechnologyChemistryChemical engineeringComputational chemistryPhysical chemistryOrganic chemistryNanotube

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Publication Info

Year
2001
Type
article
Volume
79
Issue
23
Pages
3863-3865
Citations
406
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Hyunju Chang, Jae Do Lee, Seung Mi Lee et al. (2001). Adsorption of NH3 and NO2 molecules on carbon nanotubes. Applied Physics Letters , 79 (23) , 3863-3865. https://doi.org/10.1063/1.1424069

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DOI
10.1063/1.1424069