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Determining the defect type in a graphene lattice
University of the Witwatersrand, Johannesburg, South Africa.
University of the Witwatersrand, Johannesburg, South Africa.
Halmstad University, School of Information Technology. AGH University of Krakow, Krakow, Poland.ORCID iD: 0000-0003-3657-1609
2024 (English)In: Fullerenes, nanotubes, and carbon nanostructures, ISSN 1536-383X, E-ISSN 1536-4046, Vol. 32, no 4, p. 311-317Article in journal (Refereed) Published
Abstract [en]

We consider four common defects that appear in an infinite single-layer graphene lattice, i.e. single vacancy V1(5-9), Stone-Wales SW (55-77), and double vacancies V2(5-8-5) and V2(555-777). Investigating the honeycomb pattern of the graphene, we make use of the concept of shortest closed paths (periodic orbits) in the underlying topological structure. Using properties of the shortest closed paths of odd length we present and prove mathematically an algorithm that classifies which one of these defects occurs. © 2023 Taylor & Francis Group, LLC.

Place, publisher, year, edition, pages
New York, NY: Taylor & Francis, 2024. Vol. 32, no 4, p. 311-317
Keywords [en]
Graphene, inverse problem, single vacancy defect, double vacancy defect, Stone-Wales
National Category
Computational Mathematics
Identifiers
URN: urn:nbn:se:hh:diva-52192DOI: 10.1080/1536383X.2023.2280752ISI: 001101290000001Scopus ID: 2-s2.0-85176915918&OAI: oai:DiVA.org:hh-52192DiVA, id: diva2:1817545
Note

Funding: The National Research Foundation of South Africa under grant no.s 89147 and 103530.

Available from: 2023-12-06 Created: 2023-12-06 Last updated: 2024-03-04Bibliographically approved

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Nowaczyk, Marlena

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