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.

About the authors

A. V. Bandura

St. Petersburg State University

Email: s.lukyanov@spbu.ru
Russian Federation, Universitetskaya nab. 7–9, St. Petersburg, 190034

S. I. Lukyanov

St. Petersburg State University

Author for correspondence.
Email: s.lukyanov@spbu.ru
Russian Federation, Universitetskaya nab. 7–9, St. Petersburg, 190034

R. A. Evarestov

St. Petersburg State University

Email: s.lukyanov@spbu.ru
Russian Federation, Universitetskaya nab. 7–9, St. Petersburg, 190034


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