124 citations
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cond-mat.mes-hall2020★ 17 cited
Molecular Dynamics Study of sp-Defect Migration in Odd Fullerene: Possible Role in Synthesis of Abundant Isomers of Fullerenes
Alexander S. Sinitsa, Irina V. Lebedeva, Yulia G. Polynskaya +2
To explain recent experiment showing the role of odd fullerenes in formation of abundant fullerene isomers a reactive molecular dynamics (MD) study has been performed. Three types…
cond-mat.mes-hall2020★ 13 cited
Universal description of potential energy surface of interlayer interaction in two-dimensional materials by first spatial Fourier harmonics
Alexander V. Lebedev, Irina V. Lebedeva, Andrey M. Popov +3
We propose a hypothesis that the potential energy surface (PES) of interlayer interaction in diverse 2D materials can be universally described by the first spatial Fourier harmonic…