Boron-carbon Nanotube Modification Using Alkaline Metal Atoms
Electronic Archive of Sumy State University
Переглянути архів Інформація| Поле | Співвідношення | |
| Title |
Boron-carbon Nanotube Modification Using Alkaline Metal Atoms
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| Creator |
Boroznin, S.V.
Boroznina, E.V. Zaporotskova, I.V. Polikarpova, N.P. |
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| Subject |
Boron-carbon nanotubes
Ionic-built covalent-cyclic cluster model Quantum chemical calculations Adsorption Metal superlattice |
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| Description |
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. |
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| Publisher |
Sumy State University
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| Date |
2014-07-29T08:24:07Z
2014-07-29T08:24:07Z 2014 |
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| Type |
Article
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| Identifier |
S.V. Boroznin, E.V. Boroznina, I.V. Zaporotskova, N.P. Polikarpova, J. Nano- Electron. Phys. 6 No 3, 03006 (2014)
http://essuir.sumdu.edu.ua/handle/123456789/36108 |
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| Language |
en
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