Working Mechanism of a BC sub(3) Nanotube Carbon Monoxide Gas Sensor

Carbon and BN nanotubes have previously demonstrated extreme sensitivity to several molecules, but they cannot be used to detect highly toxic molecules of CO. In this work, we examine the possibility of a BC sub(3) nanotube (BC sub(3)NT) as a potential gas sensor for CO detection by using density fu...

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Bibliographic Details
Published in:Communications in theoretical physics 2013-07, Vol.60 (1), p.113-118
Main Authors: Peyghan, A A, Yourdkhani, S, Noci, M
Format: Article
Language:English
Subjects:
Carbon monoxide
Gas sensors
Mathematical analysis
Nanocomposites
Nanomaterials
Nanostructure
Resistivity
Tubes
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Summary:Carbon and BN nanotubes have previously demonstrated extreme sensitivity to several molecules, but they cannot be used to detect highly toxic molecules of CO. In this work, we examine the possibility of a BC sub(3) nanotube (BC sub(3)NT) as a potential gas sensor for CO detection by using density functioned theory calculations. It is found that CO molecule can be absorbed on B and C atoms BC sub(3)NT wall with adsorption energies in the range of -1.0 to -25.9 kcal/mol and it can donate finite charge to the tube. By comparing the HOMO/LUMO energy gaps of the bare and CO adsorbed nanotubes, we deduce that molecular CO can induce significant change in the electrical conductivity of the tube. The conductivity change can generate an electrical signal, which might be useful for CO detection.
ISSN:0253-6102