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Current State of Computational Modeling of Nanohelicenes

This review considers the works that focus on various aspects of the theoretical description of nanohelicenes (other equivalent names are graphene spirals, graphene helicoid, helical graphene nanoribbon, or helical graphene)—a promising class of one-dimensional nanostructures. The intrinsic helical...

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Detalles Bibliográficos
Autores principales: Porsev, Vitaly V., Evarestov, Robert A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10458037/
https://www.ncbi.nlm.nih.gov/pubmed/37630880
http://dx.doi.org/10.3390/nano13162295
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author Porsev, Vitaly V.
Evarestov, Robert A.
author_facet Porsev, Vitaly V.
Evarestov, Robert A.
author_sort Porsev, Vitaly V.
collection PubMed
description This review considers the works that focus on various aspects of the theoretical description of nanohelicenes (other equivalent names are graphene spirals, graphene helicoid, helical graphene nanoribbon, or helical graphene)—a promising class of one-dimensional nanostructures. The intrinsic helical topology and continuous π-system lead to the manifestation of unique optical, electronic, and magnetic properties that are also highly dependent on axial and torsion strains. In this paper, it was shown that the properties of nanohelicenes are mainly associated with the peripheral modification of the nanohelicene ribbon. We have proposed a nomenclature that enables the classification of all nanohelicenes as modifications of some prototype classes.
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spelling pubmed-104580372023-08-27 Current State of Computational Modeling of Nanohelicenes Porsev, Vitaly V. Evarestov, Robert A. Nanomaterials (Basel) Review This review considers the works that focus on various aspects of the theoretical description of nanohelicenes (other equivalent names are graphene spirals, graphene helicoid, helical graphene nanoribbon, or helical graphene)—a promising class of one-dimensional nanostructures. The intrinsic helical topology and continuous π-system lead to the manifestation of unique optical, electronic, and magnetic properties that are also highly dependent on axial and torsion strains. In this paper, it was shown that the properties of nanohelicenes are mainly associated with the peripheral modification of the nanohelicene ribbon. We have proposed a nomenclature that enables the classification of all nanohelicenes as modifications of some prototype classes. MDPI 2023-08-09 /pmc/articles/PMC10458037/ /pubmed/37630880 http://dx.doi.org/10.3390/nano13162295 Text en © 2023 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Review
Porsev, Vitaly V.
Evarestov, Robert A.
Current State of Computational Modeling of Nanohelicenes
title Current State of Computational Modeling of Nanohelicenes
title_full Current State of Computational Modeling of Nanohelicenes
title_fullStr Current State of Computational Modeling of Nanohelicenes
title_full_unstemmed Current State of Computational Modeling of Nanohelicenes
title_short Current State of Computational Modeling of Nanohelicenes
title_sort current state of computational modeling of nanohelicenes
topic Review
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10458037/
https://www.ncbi.nlm.nih.gov/pubmed/37630880
http://dx.doi.org/10.3390/nano13162295
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