najoNanosystems: Physics, Chemistry, MathematicsНаносистемы: физика, химия, математика2220-80542305-7971Университет ИТМО10.17586/2220-8054-2018-9-1-79-84najo-1404Research ArticleСтатьиSensitivity of carboxyl-modified carbon nanotubes to alkaline metalsBorozninaN. P.

Universitetskii prospect, 100, 400062 Volgograd

ZaporotskovaI. V.

Universitetskii prospect, 100, 400062 Volgograd

BorozninS. V.

Universitetskii prospect, 100, 400062 Volgograd

Volgograd State UniversityRussian Federation2018240820259179–84Copyright © Boroznina N.P., Zaporotskova I.V., Boroznin S.V., 20252025Boroznina N.P., Zaporotskova I.V., Boroznin S.V.Boroznina N.P., Zaporotskova I.V., Boroznin S.V.Данная работа распространяется под лицензией Creative Commons Attribution 4.0.This work is licensed under a Creative Commons Attribution 4.0 License.https://nanojournal.ifmo.ru/jour/article/view/1404

This paper considers the fabrication of a superminiaturized sensor based on carboxyl-modified carbon nanotubes. The possibility of using nanotubes modified by carboxyl group for detection of alkaline metals is analyzed. Simulation results have been reported for the binding process of carboxyl group to the nanotube surface and interaction of the nanosystem fabricated with atoms of potassium, sodium and lithium. The simulation has been carried out using the molecular cluster model and the MNDO and DFT calculation methods. Sensor properties of surface and boundary carboxyl-modified nanotubes for alkaline metals have been compared. It has been proved that surface carboxyl-modified nanotubes are characterized by higher sensitivity for the selected atoms.

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The authors declare that there are no conflicts of interest present.