Nucleation and growth of fullerenes and nanotubes having three-fold T-symmetry

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Abstract

According to the periodic system of fullerenes, all the fullerenes can be classified into the groups having different symmetry. It is supposed that the fullerenes of one and the same symmetry have similar properties. Before the appearance of the periodic system in 2017 the fullerenes were chosen for study at a random way that instead of ordering the results only increased information entropy. We have studied possible ways of generation and growing the fullerenes, which refer to the group having three-fold T-symmetry. Beginning with cyclopropane C3H6 producing clusters C6, we have obtained elementary fullerenes C6 as well as mini-fullerenes C12, which in their turn have produced the fullerenes from C18 to C48, perfect and imperfect, as well as nanotubes. The basic perfect fullerenes C18, C24, C30, C36, C42 and C48 have the ordinary three-fold symmetry, the intermediate ones having no such symmetry. Their imperfection is connected with extra ‘interstitial’ or carbon dimers, the dimers playing the role of defects. One can define the imperfect fullerenes with defects as the fullerenes having topological three-fold symmetry. We have calculated their shape and energies using Avogadro package and discussed possible reasons of their dependence on a fullerene size and shape. We have found that the fullerenes can be divided into two groups, alive that can grow, and dead which are impotent. Taking into account the results obtained early, allows us to make predictions that the dead fullerenes C24R, C32R, C40R and C48R of three-, four-, five- and six-fold symmetry have the most chance to be found experimentally with comparison of their isomers.

About the authors

Alexander I. Melker

Peter the Great St. Petersburg Polytechnic University, St. Petersburg

Email: matvienko_an@spbstu.ru

Doctor of Sciences (Physics and Mathematics), Professor, professor of St. Petersburg Academy of Sciences on Strength Problems

Russian Federation

Maria A. Krupina

Peter the Great St. Petersburg Polytechnic University, St. Petersburg

Email: ndtcs@inbox.ru
ORCID iD: 0000-0001-8504-9302

PhD (Physics and Mathematics), assistant professor of Department of Experimental Physics

Russian Federation

Aleksandra N. Matvienko

Peter the Great St. Petersburg Polytechnic University, St. Petersburg

Author for correspondence.
Email: ndtcs@inbox.ru
ORCID iD: 0000-0002-3012-1407

engineer of Department of Mechanics and Control Processes

Russian Federation

References

  1. Melker A.I., Krupina M.A. Geometric modeling of midi-fullerene growth from C32 to C60. St. Petersburg State Polytechnical University Journal. Physics and Mathematics, 2017, vol. 10, no. 1, pp. 47–54. doi: 10.1016/j.spjpm.2017.02.002.
  2. Melker A.I., Krupina M.A. Modeling growth of midi-fullerenes from C48 to C72. Materials Physics and Mechanics, 2017, vol. 34, no. 1, pp. 29–36. doi: 10.18720/MPM.3412017_3.
  3. Melker A.I., Krupina M.A., Zarafutdinov R.M. Fullerenes of the Δn=12 series. Materials Physics and Mechanics, 2017, vol. 34, no. 1, pp. 46–50.
  4. Melker A.I., Vorobyeva T.V., Zarafutdinov R.M. Fullerenes of the Δn=6 series. Journal of Applied and Theoretical Physics Research, 2018, vol. 2, no. 1, pp. 1–4. doi: 10.24218/jatpr.2018.13.
  5. Melker A.I., Zarafutdinov R.M., Krupina M.A. Fullerenes of the Δn=10 series. Materials Physics and Mechanics, 2017, vol. 34, no. 1, pp. 37–45. doi: 10.18720/MPM.3412017_4.
  6. Melker A.I., Vorobyeva T.V. Structure and energy of the Δn=14 series fullerenes. International Journal Atomic and Nuclear Physics, 2018, vol. 3, article number 008. doi: 10.35840/2631-5017/2508.
  7. Melker A.I., Vorfobyeva T.V., Zarafutdinov R.M. Modeling fullerene growth by fusion reactions of cupola half-fullerenes: Δn=16 series. Materials Physics and Mechanics, 2019, vol. 41, no. 1, pp. 36–44. doi: 10.18720/MPM.4112019_6.
  8. Kosevich A.M. Fizicheskaya mekhanika realnykh kristallov [Physical Mechanics of Real Crystals]. Kiev, Naukova dumka Publ., 1981. 327 p.
  9. Melker A.I., Krupina M.A., Zarafutdinov R.M. Periodic system of fullerenes: the column of three-fold symmetry. Nonlinear Phenomena in Complex Systems, 2019, vol. 22, no. 4, pp. 383–394. doi: 10.33581/1561-4085-2019-22-4-383-394.
  10. Melker A.I., Krupina M.A., Matvienko A.N. Nucleation and growth of fullerenes and nanotubes having four-fold symmetry. Materials Physics and Mechanics, 2021, vol. 47, no. 2, pp. 315–343. doi: 10.18149/MPM.4722021_13.
  11. Melker A.I., Starovoitov S.A., Zarafutdinov R.M. Tetrahedral mini- and midi-fullerenes. Materials Physics and Mechanics, 2019, vol. 41, no. 1, pp. 52–61. doi: 10.18720/MPM.4112019_8.
  12. Sánchez-Barnabe F.J. Towards a periodic pattern in classical and nonclassical fullerenes with tetrahedral structure. Materials Physics and Mechanics, 2020, vol. 45, no. 1, pp. 79–86. doi: 10.18720/MPM.4512020_8.
  13. Sverdlov L.M., Kovner M.A., Kraynov E.P. Kolebatelnye spektry mnogoatomnykh molekul [Vibration Spectra of Many-Atomic Molecules]. Moscow, Nauka Publ., 1970. 559 p.
  14. Hanwell M.D., Curtis D.E., Lonie D.C., Vandermeersch T., Zurek E., Hutchison G.R. Avogadro: an advanced semantic chemical editor, visualization, and analysis platform. Journal of Cheminformatics, 2012, vol. 4, no. 8, article number 17. doi: 10.1186/1758-2946-4-17.
  15. Melker A.I., Krupina M.A., Zarafutdinov R.M. Fullerenes of the Δn=2 series. Materials Physics and Mechanics, 2018, vol. 39, no. 1, pp. 49–55. doi: 10.18720/MPM.3912018_8.
  16. Melker A.I., Vorobyeva T.V., Zarafutdinov R.M. Fullerenes of the Δn=4 series. Materials Physics and Mechanics, 2018, vol. 39, no. 1, pp. 43–48. doi: 10.18720/MPM.3912018_7.
  17. Melker A.I., Matvienko A.N. Periodic system of fullerenes: isomers from C20 to C28. Proceedings of the 18th Int Workshop: Nano-Design, Technology, Computer Simulations, Sept. 24-27. Brest, 2019, pp. 72–78.
  18. Slanina Z., Zhao X., Uhlik F. Model narrow nanotubes related to C36, C32 and C20: initial computational structural sampling. Materials Science and Engineering B: Solid-State Materials for Advanced Technology, 2002, vol. 96, no. 2, pp. 164–168. doi: 10.1016/S0921-5107(02)00312-4.
  19. Melker A.I., Krupina M.A. Unified approach to forming fullerenes and nanotubes. Materials Physics and Mechanics, 2017, vol. 34, no. 1, pp. 1–17. doi: 10.18720/MPM.3412017_1.
  20. Amiri H., Shepard K.L., Nuckolls C., Hernandez S.R. Single-walled carbon nanotubes: mimics of biological channels. Nano Letters, 2017, vol. 17, no. 2, pp. 1204–1211. doi: 10.1021/acs.nanolett.6b04967.
  21. Tunuguntla R.H., Henley R.Y., Yao Y.-Ch., Pham T.A., Wanunu M., Noy A. Enhanced water permeability and tunable ion selectivity in subnanometer carbon nanotube porins. Science, 2017, vol. 357, no. 6353, pp. 792–796. doi: 10.1126/science.aan2438.
  22. Melker A.I. Dynamics of Condensed Matter. Collisions and Branchings. Sankt Petersburg, St. Petersburg Academy of Sciences on Strength Problems Publ., 2010. Vol. 2, 342 p.
  23. Schwerdtfeger P., Wirz L.N., Avery J. The topology of fullerenes. Wiley Interdisciplinary Reviews: Computational Molecular Science, 2015, vol. 5, no. 1, pp. 96–145. doi: 10.1002/wcms.1207.
  24. Endo M., Kroto H.W. Formation of carbon nanofibers. Journal of Physical Chemistry, 1992, vol. 96, no. 17, pp. 6941–6944. doi: 10.1021/j100196a017.
  25. Melker A.I. Dynamics of Condensed Matter. Vibrations and Waves. Sankt Petersburg, St. Petersburg Academy of Sciences on Strength Problems Publ., 2013. Vol. 1, 527 p.

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