Comparison of sensor activity in carbon nanotubes modified with functional groups
https://doi.org/10.17073/1609-3577-2016-3-204-209
Abstract
This article presents a theoretical study of sensor activity of nanosystems based on carbon nanotubes modified with functional groups (carboxyl, aminogen, nitrogroup) for some metal atoms and ions. Calculations have been performed within the frameworks of a molecular cluster model with the use of the semiempirical MNDO method and the density functional theory DFT. The mechanism of functional group binding to the open border of single−walled zig− zag carbon nanotubes leading to the formation of chemically active sensors on their basis has been investigated. Main geometric and electron energy characteristics of the resultant systems have been defined. Interaction of the sensors so synthesized with atoms and ions of some metals, e.g. potassium, sodium and lithium, has been analyzed.
About the Authors
N. P. Boroznina
Volgograd State University.
Russian Federation
Natalya P. Boroznina — Cand. Sci. (Phys.−Math.), Associated Professor.100 Universitetskii Prospekt, Volgograd 400062.
Russian Federation
Natalya P. Boroznina — Cand. Sci. (Phys.−Math.), Associated Professor.100 Universitetskii Prospekt, Volgograd 400062.
I. V. Zaporotskova
Volgograd State University.
Russian Federation
Russian Federation
Irina V. Zaporotskova — Dr. Sci. (Phys.−Math.), Professor, Director of the Institute of Priority Technologies.
100 Universitetskii Prospekt, Volgograd 400062.
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Review
For citations:
Boroznina N.P., Zaporotskova I.V. Comparison of sensor activity in carbon nanotubes modified with functional groups. Izvestiya Vysshikh Uchebnykh Zavedenii. Materialy Elektronnoi Tekhniki = Materials of Electronics Engineering. 2016;19(3):204-209. (In Russ.) https://doi.org/10.17073/1609-3577-2016-3-204-209
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