Please use this identifier to cite or link to this item: http://essuir.sumdu.edu.ua/handle/123456789/65912
Title: Comparative Analysis of Sensor Activity of Carbon Nanotubes Modified with Functional Groups
Authors: Boroznina, N.P.
Zaporotskova, I.V.
Boroznin, S.V.
Keywords: Carbon nanotube
Sensory activity
Functional nitro group
Functional amino group
Functional carboxyl group
Boundary modification
Issue Year: 2017
Publisher: Sumy State University
Citation: Boroznina, N.P. Comparative Analysis of Sensor Activity of Carbon Nanotubes Modified with Functional Groups [Текст] / N.P. Boroznina, I.V. Zaporotskova, S.V. Boroznin // Журнал нано- та електронної фізики. – 2017. – Т.9, № 3. – 03046. – DOI: 10.21272/jnep.9(3).03046.
Abstract: This article presents theoretical study of sensor activity of nanosystems based on a carbon nanotube modified with functional group (carboxyl, aminogen, nitrogroup) on some metal atoms and ions. Calculations were performed within the frameworks of molecular cluster model with application of semiempirical MNDO method and density functional theory DFT. The mechanism of binding functional groups to the open border of single-walled zig-zag carbon nanotubes for the purpose of formation of a chemically-active sensor based on them has been investigated. Main geometric and electron energy characteristics of built systems have been defined. Interaction of the sensors built in this fashion with atoms and ions of some metals: potassium, sodium, lithium has been investigated.
URI: http://essuir.sumdu.edu.ua/handle/123456789/65912
Type: Article
Appears in Collections:Журнал нано- та електронної фізики (Journal of nano- and electronic physics)

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