Boron-carbon Nanotube Modification Using Alkaline Metal Atoms
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 appropriately modified MNDO quantum chemical scheme. We studied the mechanism of Li, K and Na at...
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| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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Sumy State University
2014-07-01
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| Series: | Журнал нано- та електронної фізики |
| Subjects: | |
| Online Access: | http://jnep.sumdu.edu.ua/download/numbers/2014/3/articles/jnep_2014_V6_03006.pdf |
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| author | S.V. Boroznin E.V. Boroznina I.V. Zaporotskova N.P. Polikarpova |
| author_facet | S.V. Boroznin E.V. Boroznina I.V. Zaporotskova N.P. Polikarpova |
| author_sort | S.V. Boroznin |
| collection | DOAJ |
| 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 appropriately 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. |
| format | Article |
| id | doaj-art-b3896ce36cbb4f92b5f73bc18a90c48b |
| institution | OA Journals |
| issn | 2077-6772 |
| language | English |
| publishDate | 2014-07-01 |
| publisher | Sumy State University |
| record_format | Article |
| series | Журнал нано- та електронної фізики |
| spelling | doaj-art-b3896ce36cbb4f92b5f73bc18a90c48b2025-08-20T02:00:16ZengSumy State UniversityЖурнал нано- та електронної фізики2077-67722014-07-016303006-103006-2Boron-carbon Nanotube Modification Using Alkaline Metal AtomsS.V. Boroznin0E.V. Boroznina1I.V. Zaporotskova2N.P. Polikarpova3Volgograd State University, 32, Bogdanova Str., 400062 Volgograd, RussiaVolgograd State University, 32, Bogdanova Str., 400062 Volgograd, RussiaVolgograd State University, 32, Bogdanova Str., 400062 Volgograd, RussiaVolgograd State University, 32, Bogdanova Str., 400062 Volgograd, RussiaIn 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 appropriately 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.http://jnep.sumdu.edu.ua/download/numbers/2014/3/articles/jnep_2014_V6_03006.pdfBoron-carbon nanotubesIonic-built covalent-cyclic cluster modelQuantum chemical calculationsAdsorptionMetal superlattic |
| spellingShingle | S.V. Boroznin E.V. Boroznina I.V. Zaporotskova N.P. Polikarpova Boron-carbon Nanotube Modification Using Alkaline Metal Atoms Журнал нано- та електронної фізики Boron-carbon nanotubes Ionic-built covalent-cyclic cluster model Quantum chemical calculations Adsorption Metal superlattic |
| title | Boron-carbon Nanotube Modification Using Alkaline Metal Atoms |
| title_full | Boron-carbon Nanotube Modification Using Alkaline Metal Atoms |
| title_fullStr | Boron-carbon Nanotube Modification Using Alkaline Metal Atoms |
| title_full_unstemmed | Boron-carbon Nanotube Modification Using Alkaline Metal Atoms |
| title_short | Boron-carbon Nanotube Modification Using Alkaline Metal Atoms |
| title_sort | boron carbon nanotube modification using alkaline metal atoms |
| topic | Boron-carbon nanotubes Ionic-built covalent-cyclic cluster model Quantum chemical calculations Adsorption Metal superlattic |
| url | http://jnep.sumdu.edu.ua/download/numbers/2014/3/articles/jnep_2014_V6_03006.pdf |
| work_keys_str_mv | AT svboroznin boroncarbonnanotubemodificationusingalkalinemetalatoms AT evboroznina boroncarbonnanotubemodificationusingalkalinemetalatoms AT ivzaporotskova boroncarbonnanotubemodificationusingalkalinemetalatoms AT nppolikarpova boroncarbonnanotubemodificationusingalkalinemetalatoms |