Phosphorus and phosphorus-nitrogen doped carbon nanotubes for ultrasensitive and selective molecular detection
(2011) Nanoscale — Vol. 3, n° 3, p. 1008-1013 (2011)
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- Abstract
- A first-principles approach is used to establish that substitutional phosphorus atoms within carbon nanotubes strongly modify the chemical properties of the surface, thus creating highly localized sites with specific affinity towards acceptor molecules. Phosphorus-nitrogen co-dopants within the tubes have a similar effect for acceptor molecules, but the P-N bond can also accept charge, resulting in affinity towards donor molecules. This molecular selectivity is illustrated in CO and NH(3) adsorbed on PN-doped nanotubes, O(2) on P-doped nanotubes, and NO(2) and SO(2) on both P- and PN-doped nanotubes. The adsorption of different chemical species onto the doped nanotubes modifies the dopant-induced localized states, which subsequently alter the electronic conductance. Although SO(2) and CO adsorptions cause minor shifts in electronic conductance, NH(3), NO(2), and O(2) adsorptions induce the suppression of a conductance dip. Conversely, the adsorption of NO(2) on PN-doped nanotubes is accompanied with the appearance of an additional dip in conductance, correlated with a shift of the existing ones. Overall these changes in electric conductance provide an efficient way to detect selectively the presence of specific molecules. Additionally, the high oxidation potential of the P-doped nanotubes makes them good candidates for electrode materials in hydrogen fuel cells.
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Cruz-Silva, E., Lopez-Urias, F., Munoz-Sandoval, E., Sumpter, B. G., Terrones, H., Charlier, J.-C., Meunier, V., & Terrones, M. (2011). Phosphorus and phosphorus-nitrogen doped carbon nanotubes for ultrasensitive and selective molecular detection. Nanoscale, 3(3), 1008-1013. https://doi.org/10.1039/c0nr00519c (Original work published 2011)