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Bilayer C60 Polymer/h-BN Heterostructures: A DFT Study of Electronic and Optic Properties

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dc.contributor.authorChernozatonskii, L. A.
dc.contributor.authorKochaev, A. I.
dc.contributor.authorКочаев, Алексей Иванович
dc.date.accessioned2024-12-04T11:38:34Z
dc.date.available2024-12-04T11:38:34Z
dc.date.issued2024
dc.description.abstractInterest in fullerene-based polymer structures has renewed due to the development of synthesis technologies using thin C60 polymers. Fullerene networks are good semiconductors. In this paper, heterostructure complexes composed of C60 polymer networks on atomically thin dielectric substrates are modeled. Small tensile and compressive deformations make it possible to ensure appropriate placement of monolayer boron nitride with fullerene networks. The choice of a piezoelectric boron nitride substrate was dictated by interest in their applicability in mechanoelectric, photoelectronic, and electro-optical devices with the ability to control their properties. The results we obtained show that C60 polymer/h-BN heterostructures are stable compounds. The van der Waals interaction that arises between them affects their electronic and optical properties.
dc.identifier.citationChernozatonskii, L. A. Bilayer C60 Polymer/h-BN Heterostructures: A DFT Study of Electronic and Optic Properties / Chernozatonskii, L.A., Kochaev, A.I. // Polymers. - 2024. - 16. - № 11. - 10.3390/polym16111580
dc.identifier.doi10.3390/polym16111580
dc.identifier.urihttps://www.doi.org/10.3390/polym16111580
dc.identifier.urihttps://www.scopus.com/record/display.uri?eid=2-s2.0-85195804864&origin=resultslist
dc.identifier.urihttps://openrepository.mephi.ru/handle/123456789/26056
dc.relation.ispartofPolymers
dc.titleBilayer C60 Polymer/h-BN Heterostructures: A DFT Study of Electronic and Optic Properties
dc.typeArticle
dspace.entity.typePublication
oaire.citation.issue11
oaire.citation.volume16
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relation.isAuthorOfPublication.latestForDiscovery4cb85d33-cfa3-4947-bff5-1220fcc89a22
relation.isOrgUnitOfPublication06e1796d-4f55-4057-8d7e-bb2f3b5676f5
relation.isOrgUnitOfPublication.latestForDiscovery06e1796d-4f55-4057-8d7e-bb2f3b5676f5
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