Boron-carbon Nanotube Modification Using Alkaline Metal Atoms
| Authors | S.V. Boroznin , E.V. Boroznina , I.V. Zaporotskova , N.P. Polikarpova |
| Affiliations | Volgograd State University, 32, Bogdanova Str., 400062 Volgograd, Russia |
| Е-mail | sboroznin@mail.ru |
| Issue | Volume 6, Year 2014, Number 3 |
| Dates | Received 19 May 2014; published online 15 July 2014 |
| Citation | S.V. Boroznin, E.V. Boroznina, I.V. Zaporotskova, N.P. Polikarpova, J. Nano- Electron. Phys. 6 No 3, 03006 (2014) |
| DOI | |
| PACS Number(s) | 61.46, 71.15 |
| Keywords | Boron-carbon nanotubes (2) , Ionic-built covalent-cyclic cluster model (2) , Quantum chemical calculations (2) , Adsorption (9) , Metal superlattice. |
| Annotation | 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. |
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List of References |
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