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Variational model for a rippled graphene sheet

The calculus of variations is utilised to study the behaviour of a rippled graphene sheet supported on a metal substrate. We propose a model that is underpinned by two key parameters, the bending rigidity of graphene γ, and the van der Waals interaction strength ξ. Three cases are considered, each o...

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Detalles Bibliográficos
Autores principales: Aljedani, Jabr, Chen, Michael J., Cox, Barry J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9052790/
https://www.ncbi.nlm.nih.gov/pubmed/35493679
http://dx.doi.org/10.1039/c9ra10439a
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author Aljedani, Jabr
Chen, Michael J.
Cox, Barry J.
author_facet Aljedani, Jabr
Chen, Michael J.
Cox, Barry J.
author_sort Aljedani, Jabr
collection PubMed
description The calculus of variations is utilised to study the behaviour of a rippled graphene sheet supported on a metal substrate. We propose a model that is underpinned by two key parameters, the bending rigidity of graphene γ, and the van der Waals interaction strength ξ. Three cases are considered, each of which addresses a specific configuration of a rippled graphene sheet located on a flat substrate. The transitional case assumes that both the graphene sheet length and substrate length are constrained. The substrate constrained case assumes only the substrate has a constrained length. Finally, the graphene constrained case assumes only the length of the graphene sheet is constrained. Numerical results are presented for each case, and the interpretation of these results demonstrates a continuous relationship between the total energy per unit length and the substrate length, that incorporates all three configurations. The present model is in excellent agreement with earlier results of molecular dynamics (MD) simulations in predicting the profiles of graphene ripples.
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spelling pubmed-90527902022-04-29 Variational model for a rippled graphene sheet Aljedani, Jabr Chen, Michael J. Cox, Barry J. RSC Adv Chemistry The calculus of variations is utilised to study the behaviour of a rippled graphene sheet supported on a metal substrate. We propose a model that is underpinned by two key parameters, the bending rigidity of graphene γ, and the van der Waals interaction strength ξ. Three cases are considered, each of which addresses a specific configuration of a rippled graphene sheet located on a flat substrate. The transitional case assumes that both the graphene sheet length and substrate length are constrained. The substrate constrained case assumes only the substrate has a constrained length. Finally, the graphene constrained case assumes only the length of the graphene sheet is constrained. Numerical results are presented for each case, and the interpretation of these results demonstrates a continuous relationship between the total energy per unit length and the substrate length, that incorporates all three configurations. The present model is in excellent agreement with earlier results of molecular dynamics (MD) simulations in predicting the profiles of graphene ripples. The Royal Society of Chemistry 2020-04-22 /pmc/articles/PMC9052790/ /pubmed/35493679 http://dx.doi.org/10.1039/c9ra10439a Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by/3.0/
spellingShingle Chemistry
Aljedani, Jabr
Chen, Michael J.
Cox, Barry J.
Variational model for a rippled graphene sheet
title Variational model for a rippled graphene sheet
title_full Variational model for a rippled graphene sheet
title_fullStr Variational model for a rippled graphene sheet
title_full_unstemmed Variational model for a rippled graphene sheet
title_short Variational model for a rippled graphene sheet
title_sort variational model for a rippled graphene sheet
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9052790/
https://www.ncbi.nlm.nih.gov/pubmed/35493679
http://dx.doi.org/10.1039/c9ra10439a
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