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SIZE OF METAL NANOPARTICLES AS A DECISIVE FACTOR IN THE FORMATION OF NICKEL – GRAPHENE COMPOSITE: MOLECULAR DYNAMICS

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Abstract

The size effect of nickel nanoparticles on the process of nickel–graphene composite formation is studied by molecular dynamics. It is shown that the best mixing of single structural elements in the general structure is achieved at high temperatures which cause fluctuations resulting in additional chemical bonds between graphene flakes. However, particle size is one of the most important structural factors affecting the composite structure: larger nanoparticles maintain their spherical shape even at high temperatures and prevent the formation of a uniform composite structure. The obtained results enrich our understanding of processes underlying the formation of composites based on crumpled graphene and metal nanoparticles.

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Funding

The authors acknowledge the Russian Science Foundation (grant No. 20-72-10112).

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Authors and Affiliations

  1. Ufa State Petroleum Technical University, Ufa, Russia

    L. R. Safina

  2. Institute for Metals Superplasticity Problems, Russian Academy of Sciences, Ufa, Russia

    R. T. Murzaev

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  1. L. R. Safina
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Correspondence to L. R. Safina.

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Russian Text © The Author(s), 2021, published in Zhurnal Strukturnoi Khimii, 2021, Vol. 62, No. 5, pp. 852-860.https://doi.org/10.26902/JSC_id72914

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Safina, L.R., Murzaev, R.T. SIZE OF METAL NANOPARTICLES AS A DECISIVE FACTOR IN THE FORMATION OF NICKEL – GRAPHENE COMPOSITE: MOLECULAR DYNAMICS. J Struct Chem 62, 794–801 (2021). https://doi.org/10.1134/S0022476621050152

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