Abstract
A new class of nanocomposites-fullerene-graphene compounds whose components are partially polymerized-has been considered. Various two- and three-dimensional covalent and molecular compounds of graphene monolayers and C60 fullerenes from a bilayer to a multilayer superlattice, in particular, with partial polymerization of fullerenes with each other and with adjacent graphene sheets have been studied. It has been shown that all considered compounds are energetically more stable at the formation of covalent bonds between components. The structures of a number of considered compounds have been compared to existing experimental data. Covalent compounds of components strengthen the structure: its Young’s modulus is more than an order of magnitude higher than the elastic moduli of molecular fullerite.
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Acknowledgments
The calculations were performed at the Interdisciplinary Computer Center, Russian Academy of Sciences.
Funding
This work was supported by the Russian Foundation for Basic Research (project no. 16-29-06201).
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Russian Text © The Author(s), 2020, published in Pis’ma v Zhurnal Eksperimental’noi i Teoreticheskoi Fiziki, 2020, Vol. 111, No. 2, pp. 93-100.
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Artyukh, A.A., Chernozatonskii, L.A. Simulation of the Formation and Mechanical Properties of Layered Structures with Polymerized Fullerene-Graphene Components. Jetp Lett. 111, 109–115 (2020). https://doi.org/10.1134/S0021364020020058
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DOI: https://doi.org/10.1134/S0021364020020058