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Bending energy of 2D materials: graphene, MoS(2) and imogolite

The bending process of 2D materials, subject to an external force, is investigated, and applied to graphene, molybdenum disulphide (MoS(2)), and imogolite. For graphene we obtained 3.43 eV Å(2) per atom for the bending modulus, which is in good agreement with the literature. We found that MoS(2) is...

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Autores principales: González, Rafael I., Valencia, Felipe J., Rogan, José, Valdivia, Juan Alejandro, Sofo, Jorge, Kiwi, Miguel, Munoz, Francisco
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9077804/
https://www.ncbi.nlm.nih.gov/pubmed/35539543
http://dx.doi.org/10.1039/c7ra10983k
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author González, Rafael I.
Valencia, Felipe J.
Rogan, José
Valdivia, Juan Alejandro
Sofo, Jorge
Kiwi, Miguel
Munoz, Francisco
author_facet González, Rafael I.
Valencia, Felipe J.
Rogan, José
Valdivia, Juan Alejandro
Sofo, Jorge
Kiwi, Miguel
Munoz, Francisco
author_sort González, Rafael I.
collection PubMed
description The bending process of 2D materials, subject to an external force, is investigated, and applied to graphene, molybdenum disulphide (MoS(2)), and imogolite. For graphene we obtained 3.43 eV Å(2) per atom for the bending modulus, which is in good agreement with the literature. We found that MoS(2) is ∼11 times harder to bend than graphene, and has a bandgap variation of ∼1 eV as a function of curvature. Finally, we also used this strategy to study aluminosilicate nanotubes (imogolite) which, in contrast to graphene and MoS(2), present an energy minimum for a finite curvature radius. Roof tile shaped imogolite precursors turn out to be stable, and thus are expected to be created during imogolite synthesis, as predicted to occur by self-assembly theory.
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spelling pubmed-90778042022-05-09 Bending energy of 2D materials: graphene, MoS(2) and imogolite González, Rafael I. Valencia, Felipe J. Rogan, José Valdivia, Juan Alejandro Sofo, Jorge Kiwi, Miguel Munoz, Francisco RSC Adv Chemistry The bending process of 2D materials, subject to an external force, is investigated, and applied to graphene, molybdenum disulphide (MoS(2)), and imogolite. For graphene we obtained 3.43 eV Å(2) per atom for the bending modulus, which is in good agreement with the literature. We found that MoS(2) is ∼11 times harder to bend than graphene, and has a bandgap variation of ∼1 eV as a function of curvature. Finally, we also used this strategy to study aluminosilicate nanotubes (imogolite) which, in contrast to graphene and MoS(2), present an energy minimum for a finite curvature radius. Roof tile shaped imogolite precursors turn out to be stable, and thus are expected to be created during imogolite synthesis, as predicted to occur by self-assembly theory. The Royal Society of Chemistry 2018-01-25 /pmc/articles/PMC9077804/ /pubmed/35539543 http://dx.doi.org/10.1039/c7ra10983k Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by/3.0/
spellingShingle Chemistry
González, Rafael I.
Valencia, Felipe J.
Rogan, José
Valdivia, Juan Alejandro
Sofo, Jorge
Kiwi, Miguel
Munoz, Francisco
Bending energy of 2D materials: graphene, MoS(2) and imogolite
title Bending energy of 2D materials: graphene, MoS(2) and imogolite
title_full Bending energy of 2D materials: graphene, MoS(2) and imogolite
title_fullStr Bending energy of 2D materials: graphene, MoS(2) and imogolite
title_full_unstemmed Bending energy of 2D materials: graphene, MoS(2) and imogolite
title_short Bending energy of 2D materials: graphene, MoS(2) and imogolite
title_sort bending energy of 2d materials: graphene, mos(2) and imogolite
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9077804/
https://www.ncbi.nlm.nih.gov/pubmed/35539543
http://dx.doi.org/10.1039/c7ra10983k
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