2D Model Graphene Nanoribbons in a Polymer Matrix

A 2D model of a graphene nanoribbon in a polymer matrix (in a crystal of polyethylene macromolecules) is proposed, which makes it possible to consider large polymer samples with inclusions of single- and multilayer nanoribbons. The model is used to show that it is energetically more favorable for na...

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Bibliographic Details
Published inPolymer Science. Series A Vol. 63; no. 3; pp. 344 - 355
Main Author Savin, A. V.
Format Journal Article
LanguageEnglish
Published Moscow Pleiades Publishing 01.05.2021
Springer Nature B.V
Subjects
Chemistry
Chemistry and Materials Science
Compressive strength
Graphene
Inclusions
Macromolecules
Multilayers
Nanoribbons
Polyethylenes
Polymer Sciences
Polymers
Theory and Simulations
Two dimensional models
carbon nanoribbon
nanocomposites
substrate
polyethylene
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Summary:A 2D model of a graphene nanoribbon in a polymer matrix (in a crystal of polyethylene macromolecules) is proposed, which makes it possible to consider large polymer samples with inclusions of single- and multilayer nanoribbons. The model is used to show that it is energetically more favorable for nanoribbons to be inside the polymer matrix than on its surface, and it is advantageous for multilayer nanoribbons inside to separate into individual layers. Compression of nanoribbons inside and on the surface of the matrix is carried out. It is shown that, regardless of the number of layers of a nanoribbon, its longitudinal compression, together with the matrix, can occur according to two scenarios: uniform compression of the entire nanoribbon + matrix system or nonuniform compression, for which localized bending occurs at the nanoribbon. The first scenario is achieved with weak compression, the second, with strong compression.
ISSN:0965-545X
1555-6107
DOI:10.1134/S0965545X21020115