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Topological Anisotropy of Stone-Wales Waves in Graphenic Fragments

Stone-Wales operators interchange four adjacent hexagons with two pentagon-heptagon 5|7 pairs that, graphically, may be iteratively propagated in the graphene layer, originating a new interesting structural defect called here Stone-Wales wave. By minimization, the Wiener index topological invariant...

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Detalles Bibliográficos
Autores principales: Ori, Ottorino, Cataldo, Franco, Putz, Mihai V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Molecular Diversity Preservation International (MDPI) 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3233447/
https://www.ncbi.nlm.nih.gov/pubmed/22174641
http://dx.doi.org/10.3390/ijms12117934
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author Ori, Ottorino
Cataldo, Franco
Putz, Mihai V.
author_facet Ori, Ottorino
Cataldo, Franco
Putz, Mihai V.
author_sort Ori, Ottorino
collection PubMed
description Stone-Wales operators interchange four adjacent hexagons with two pentagon-heptagon 5|7 pairs that, graphically, may be iteratively propagated in the graphene layer, originating a new interesting structural defect called here Stone-Wales wave. By minimization, the Wiener index topological invariant evidences a marked anisotropy of the Stone-Wales defects that, topologically, are in fact preferably generated and propagated along the diagonal of the graphenic fragments, including carbon nanotubes and graphene nanoribbons. This peculiar edge-effect is shown in this paper having a predominant topological origin, leaving to future experimental investigations the task of verifying the occurrence in nature of wave-like defects similar to the ones proposed here. Graph-theoretical tools used in this paper for the generation and the propagation of the Stone-Wales defects waves are applicable to investigate isomeric modifications of chemical structures with various dimensionality like fullerenes, nanotubes, graphenic layers, schwarzites, zeolites.
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spelling pubmed-32334472011-12-15 Topological Anisotropy of Stone-Wales Waves in Graphenic Fragments Ori, Ottorino Cataldo, Franco Putz, Mihai V. Int J Mol Sci Article Stone-Wales operators interchange four adjacent hexagons with two pentagon-heptagon 5|7 pairs that, graphically, may be iteratively propagated in the graphene layer, originating a new interesting structural defect called here Stone-Wales wave. By minimization, the Wiener index topological invariant evidences a marked anisotropy of the Stone-Wales defects that, topologically, are in fact preferably generated and propagated along the diagonal of the graphenic fragments, including carbon nanotubes and graphene nanoribbons. This peculiar edge-effect is shown in this paper having a predominant topological origin, leaving to future experimental investigations the task of verifying the occurrence in nature of wave-like defects similar to the ones proposed here. Graph-theoretical tools used in this paper for the generation and the propagation of the Stone-Wales defects waves are applicable to investigate isomeric modifications of chemical structures with various dimensionality like fullerenes, nanotubes, graphenic layers, schwarzites, zeolites. Molecular Diversity Preservation International (MDPI) 2011-11-15 /pmc/articles/PMC3233447/ /pubmed/22174641 http://dx.doi.org/10.3390/ijms12117934 Text en © 2011 by the authors; licensee MDPI, Basel, Switzerland. http://creativecommons.org/licenses/by/3.0 This article is an open-access article distributed under the terms and conditions of the Creative Commons Attribution license (http://creativecommons.org/licenses/by/3.0/).
spellingShingle Article
Ori, Ottorino
Cataldo, Franco
Putz, Mihai V.
Topological Anisotropy of Stone-Wales Waves in Graphenic Fragments
title Topological Anisotropy of Stone-Wales Waves in Graphenic Fragments
title_full Topological Anisotropy of Stone-Wales Waves in Graphenic Fragments
title_fullStr Topological Anisotropy of Stone-Wales Waves in Graphenic Fragments
title_full_unstemmed Topological Anisotropy of Stone-Wales Waves in Graphenic Fragments
title_short Topological Anisotropy of Stone-Wales Waves in Graphenic Fragments
title_sort topological anisotropy of stone-wales waves in graphenic fragments
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3233447/
https://www.ncbi.nlm.nih.gov/pubmed/22174641
http://dx.doi.org/10.3390/ijms12117934
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