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Hybrid nonotubes BN-SiC: Theoretical studies

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Abstract

Nanotubes (NT) representing a combination of BN and SiC units were calculated. The energy spectra, charge distribution, total energies, and geometry optimization were calculated in the framework of the electron density functional theory using the Gaussian-98 program package. It was shown for chair-shaped NT(4,4), which are the combination of BN-SiC-BN and SiC-BN-SiC rings, can exist as corrugated tubes retaining the strength and conduction characteristic of silicon carbide nanotubes.

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Authors and Affiliations

  1. Frantsevich Institute of Materials Science Problems, National Academy of Sciences of Ukraine, ul. Krzhizhanovskogo 3, Kiev, 252680, Ukraine

    A. A. Lisenko

  2. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninskii pr. 31, Moscow, 119991, Russia

    P. N. D’yachkov

Authors
  1. A. A. Lisenko
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  2. P. N. D’yachkov
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Original Russian Text © A.A. Lisenko, P.N. D’yachkov, 2009, published in Zhurnal Neorganicheskoi Khimii, 2009, Vol. 54, No. 8, pp. 1355–1358.

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Lisenko, A.A., D’yachkov, P.N. Hybrid nonotubes BN-SiC: Theoretical studies. Russ. J. Inorg. Chem. 54, 1286–1289 (2009). https://doi.org/10.1134/S0036023609080178

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  • DOI: https://doi.org/10.1134/S0036023609080178

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