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Title Boron-carbon Nanotube Modification Using Alkaline Metal Atoms
Authors Boroznin, S.V.
Boroznina, E.V.
Zaporotskova, I.V.
Polikarpova, N.P.
Keywords Boron-carbon nanotubes
Ionic-built covalent-cyclic cluster model
Quantum chemical calculations
Adsorption
Metal superlattice
Type Article
Date of Issue 2014
URI http://essuir.sumdu.edu.ua/handle/123456789/36108
Publisher Sumy State University
License
Citation S.V. Boroznin, E.V. Boroznina, I.V. Zaporotskova, N.P. Polikarpova, J. Nano- Electron. Phys. 6 No 3, 03006 (2014)
Abstract In this paper we present the results of theoretical research into the properties of two types of boron -carbon nanotubes (BCNTs) within the framework of an ionic-built covalent-cyclic cluster model and an ap-propriately modified MNDO quantum chemical scheme. We studied the mechanism of Li, K and Na atoms sorption on the external surface of single-walled BC3 zig-zag nanotubes. We defined the optimal geometry of the sorption complexes and obtained the sorption energy values. When you are citing the document, use the following link http://essuir.sumdu.edu.ua/handle/123456789/36108
Appears in Collections: Журнал нано- та електронної фізики (Journal of nano- and electronic physics)

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