Structure of new sp2+sp3 hybrid carbon phases by means of alignmenting of armchair single-walled carbon nanotubes

E.A. Belenkov, M.I. Tingaev show affiliations and emails
Received 23 January 2015; Accepted 24 February 2015;
This paper is written in Russian
Citation: E.A. Belenkov, M.I. Tingaev. Structure of new sp2+sp3 hybrid carbon phases by means of alignmenting of armchair single-walled carbon nanotubes. Lett. Mater., 2015, 5(1) 15-19
BibTex   https://doi.org/10.22226/2410-3535-2015-1-15-19

Abstract

Model investigations of new sp2+sp3 carbon phases that can be modeled as a result of partially alignmenting of armchair single-walled carbon nanotubes (SWNTs) using density functional theory (DFT) is performed. As a result of the simulation revealed that there are five stable structures with equivalent atom positions.Model investigations of new sp2+sp3 carbon phases that can be modeled as a result of partially alignmenting of armchair single-walled carbon nanotubes (SWNTs) using density functional theory (DFT) is performed. As a result of the simulation revealed that there are five stable structures with equivalent atom positions. Geometrically optimized structure and structural parameters of such phases were found.

References (25)

1. E. A. Belenkov, V. V. Ivanovskaya, A. L. Ivanovskii. Nanodiamonds and related carbon nanomaterials. Ekaterinburg. UrO RAS, 2008. 169 p. (in Russian) [Е. А. Беленков, В. В. Ивановская, А. Л. Ивановский. Наноалмазы и родственные углеродные наноматериалы. Екатеринбург. УрО РАН, 2008. 169 с.].
2. E. A. Belenkov, V. A. Greshnyakov. Physics of the Solid State. 55 (8), 1754-1764 (2013). [Е. А. Беленков, В. А. Грешняков. Физика твердого тела. 55 (8), 1640-1650 (2013).]. Crossref
3. E. A. Belenkov, V. A. Greshnyakov. New Carbon Materials. 28 (4), 273-282 (2013). Crossref
4. E. A. Belenkov, V. V. Mavrinsky. Proceedings of the Chelyabinsk Scientific Center of Ural Branch of the RAS. 32 (2), 13-18 (2006). (in Russian) [Е. А. Беленков, В. В. Мавринский. Известия Челябинского научного центра УрО РАН. 32 (2), 13-18 (2006).].
5. E. A. Belenkov, V. V. Mavrinsky. T. E. Belenkova, V. M. Chernov. Herald of Chelyabinsk State University. Physics. 316 (25), 31-39 (2013). (in Russian) [Е. А. Беленков, В. В. Мавринский, Т. Е. Беленкова, В. М. Чернов. Вестник ЧелГУ. Физика. 316 (25), 31-39 (2013).].
6. E. A. Belenkov, V. V. Mavrinsky, T. E. Belenkova, V. M. Chernov. Journal of Experimental and Theoretical Physics. 120 (6), (2015) (in press). [Е. А. Беленков, В. В. Мавринский, Т. Е. Беленкова, В. М. Чернов. ЖЭТФ. 147 (6), (2015).].
7. E. A. Belenkov, V. A. Greshnyakov, V. V. Mavrinsky. Herald of Chelyabinsk State University. Physics. 163 (25), 22-33 (2009). (in Russian) [Е. А. Беленков, В. А. Грешняков, В. В. Мавринский. Вестник Челябинского государственного университета. Физика. 163 (25), 22-33 (2009).].
8. E. A. Belenkov, I. V. Shakhova. Herald of Chelyabinsk State University. Physics. 193 (7), 33-40 (2010). (in Russian) [Е. А. Беленков, И. В. Шахова. Вестник Челябинского государственного университета. 193 (7), 33-40 (2010).].
9. E. A. Belenkov, I. V. Shakhova. Physics of the Solid State. 53 (11), 2385-2392 (2011). [Е. А. Беленков, И. В. Шахова. Физика твердого тела. 53 (11), 2265-2272 (2011).]. Crossref
10. M. J. Bucknum, R. Hoffmann. J. Am. Chem. Soc. 116, 11456-11464 (1994). Crossref
11. N. Park, K. Park, M. H. Lee, J. Ihm. JKPS. 37 (2), 129-133 (2000).
12. N. Park, J. Ihm. Phys. Rev. B. 62 (11), 7614-7618 (2000). Crossref
13. L. A. Pesin. Journal of Materials Science. 37 (1), 1-28 (2002). Crossref
14. L. A. Pesin, E. M. Baitinger. Carbon. 40, 295-306 (2002). Crossref
15. A. G. Lyapin, V. V. Brazhkin. Physics of the Solid State. 44 (3), 405-409 (2002). Crossref
16. V. V. Brashkin. J. Phys.: Condens. Matter. 6, 837-840 (1994). Crossref
17. M. Weiler, S. Sattel, T. Giessen, K. Jung, H. Erhardt, V. S. Veerasamy, J. Robertson. Phys. Rev. B 53, 1594-1608 (1996). Crossref
18. J. K. Burdett, S. Lee. J. Am. Chem. Soc. 107 (11), 3063-3082 (1985).
19. W. Koch, M. C. Holthausen. Chemist’s Guide to Density Functional Theory. Weinheim: Wiley-VCH. (2001) 313 p.
20. E. A. Belenkov, V. A. Greshnyakov. Journal of Experimental and Theoretical Physics. 113 (1), 86-95 (2011). [Е. А. Беленков, В. А. Грешняков. ЖЭТФ. 140 (1), 99-111 (2011).]. Crossref
21. E. A. Belenkov, V. A. Greshnyakov. Physics of the Solid State. 57 (1), 205-212 (2015). [Е. А. Беленков, В. А. Грешняков, Физика твердого тела. 57 (1), 192-199 (2015).]. Crossref
22. L. A. Chernozatonski, M. Menon, T. Yu. Astakhova, G. A. Vinogradov. JETP Letters. 74 (9), 523-527 (2001). Crossref
23. E. A. Belenkov, M. I. Tingaev. Physicochemical aspects of investigations of clusters, nanostructures and nanomaterials. 6, 42-47 (2014). (in Russian) [Е. А. Беленков, М. И. Тиньгаев. Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов. 6, 42-47 (2014).].
24. J. A. Baimova, R. T. Murzaev, S. V. Dmitriev. Physics of the Solid State. 56 (10), 2010-2016 (2014). [Ю. А. Баимова, Р. Т. Мурзаев, С. В. Дмитриев. Физика твердого тела. 56 (10), 1946-1952 (2014).]. Crossref
25. J. A. Baimova, B. Liu, S. V. Dmitriev, K. Zhou. Physica Status Solidi RRL. 8 (4), 336-340 (2014). Crossref

Cited by (5)

1.
M. Tingaev, E. Belenkov. J. Phys.: Conf. Ser. 1124, 022011 (2018). Crossref
2.
Alexander V. Savin, Elena A. Korznikova, Sergey V. Dmitriev. Phys. Rev. B. 92(3) (2015). Crossref
3.
M. Tingaev, E. Belenkov. J. Phys.: Conf. Ser. 917, 032013 (2017). Crossref
4.
Julia A. Baimova, Leysan Kh. Galiakhmetova, Radik R. Mulyukov. Computational Materials Science. 192, 110301 (2021). Crossref
5.
L. Kh. Rysaeva. J. Phys.: Conf. Ser. 1435(1), 012066 (2020). Crossref

Similar papers