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New Force Field for Simulating Multi-Walled Tubes Based on MoS2

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Abstract

Atomistic model has been proposed to describe the structure, phonon frequencies, and thermodynamic properties of multi-walled nanotubes based on molybdenum disulfide.

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Authors and Affiliations

  1. St. Petersburg State University, Universitetskaya nab. 7–9, St. Petersburg, 190034, Russia

    A. V. Bandura, S. I. Lukyanov & R. A. Evarestov

Authors
  1. A. V. Bandura
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  2. S. I. Lukyanov
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  3. R. A. Evarestov
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Corresponding author

Correspondence to S. I. Lukyanov.

Additional information

Original Russian Text © A.V. Bandura, S.I. Lukyanov, R.A. Evarestov, 2018, published in Zhurnal Obshchei Khimii, 2018, Vol. 88, No. 12, pp. 2091–2093.

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Bandura, A.V., Lukyanov, S.I. & Evarestov, R.A. New Force Field for Simulating Multi-Walled Tubes Based on MoS2. Russ J Gen Chem 88, 2695–2697 (2018). https://doi.org/10.1134/S107036321812037X

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  • DOI: https://doi.org/10.1134/S107036321812037X

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