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Numerical Simulation Study of the Mechanical Behaviour of 1D and 2D Germanium Carbide and Tin Carbide Nanostructures

One-dimensional (nanotubes) and two-dimensional (nanosheets) germanium carbide (GeC) and tin carbide (SnC) structures have been predicted and studied only theoretically. Understanding their mechanical behaviour is crucial, considering forthcoming prospects, especially in batteries and fuel cells. Wi...

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Autores principales: Fernandes, José V., Pereira, André F. G., Antunes, Jorge M., Chaparro, Bruno M., Sakharova, Nataliya A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10419946/
https://www.ncbi.nlm.nih.gov/pubmed/37570189
http://dx.doi.org/10.3390/ma16155484
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author Fernandes, José V.
Pereira, André F. G.
Antunes, Jorge M.
Chaparro, Bruno M.
Sakharova, Nataliya A.
author_facet Fernandes, José V.
Pereira, André F. G.
Antunes, Jorge M.
Chaparro, Bruno M.
Sakharova, Nataliya A.
author_sort Fernandes, José V.
collection PubMed
description One-dimensional (nanotubes) and two-dimensional (nanosheets) germanium carbide (GeC) and tin carbide (SnC) structures have been predicted and studied only theoretically. Understanding their mechanical behaviour is crucial, considering forthcoming prospects, especially in batteries and fuel cells. Within this framework, the present study aims at the numerical evaluation of the elastic properties, surface Young’s and shear moduli and Poisson’s ratio, of GeC and SnC nanosheets and nanotubes, using a nanoscale continuum modelling approach. A robust methodology to assess the elastic constants of the GeC and SnC nanotubes without of the need for numerical simulation is proposed. The surface Young’s and shear moduli of the GeC and SnC nanotubes and nanosheets are compared with those of their three-dimensional counterparts, to take full advantage of 1D and 2D germanium carbide and tin carbide in novel devices. The obtained outcomes establish a solid basis for future explorations of the mechanical behaviour of 1D and 2D GeC and SnC nanostructures, where the scarcity of studies is evident.
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spelling pubmed-104199462023-08-12 Numerical Simulation Study of the Mechanical Behaviour of 1D and 2D Germanium Carbide and Tin Carbide Nanostructures Fernandes, José V. Pereira, André F. G. Antunes, Jorge M. Chaparro, Bruno M. Sakharova, Nataliya A. Materials (Basel) Article One-dimensional (nanotubes) and two-dimensional (nanosheets) germanium carbide (GeC) and tin carbide (SnC) structures have been predicted and studied only theoretically. Understanding their mechanical behaviour is crucial, considering forthcoming prospects, especially in batteries and fuel cells. Within this framework, the present study aims at the numerical evaluation of the elastic properties, surface Young’s and shear moduli and Poisson’s ratio, of GeC and SnC nanosheets and nanotubes, using a nanoscale continuum modelling approach. A robust methodology to assess the elastic constants of the GeC and SnC nanotubes without of the need for numerical simulation is proposed. The surface Young’s and shear moduli of the GeC and SnC nanotubes and nanosheets are compared with those of their three-dimensional counterparts, to take full advantage of 1D and 2D germanium carbide and tin carbide in novel devices. The obtained outcomes establish a solid basis for future explorations of the mechanical behaviour of 1D and 2D GeC and SnC nanostructures, where the scarcity of studies is evident. MDPI 2023-08-05 /pmc/articles/PMC10419946/ /pubmed/37570189 http://dx.doi.org/10.3390/ma16155484 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 Article
Fernandes, José V.
Pereira, André F. G.
Antunes, Jorge M.
Chaparro, Bruno M.
Sakharova, Nataliya A.
Numerical Simulation Study of the Mechanical Behaviour of 1D and 2D Germanium Carbide and Tin Carbide Nanostructures
title Numerical Simulation Study of the Mechanical Behaviour of 1D and 2D Germanium Carbide and Tin Carbide Nanostructures
title_full Numerical Simulation Study of the Mechanical Behaviour of 1D and 2D Germanium Carbide and Tin Carbide Nanostructures
title_fullStr Numerical Simulation Study of the Mechanical Behaviour of 1D and 2D Germanium Carbide and Tin Carbide Nanostructures
title_full_unstemmed Numerical Simulation Study of the Mechanical Behaviour of 1D and 2D Germanium Carbide and Tin Carbide Nanostructures
title_short Numerical Simulation Study of the Mechanical Behaviour of 1D and 2D Germanium Carbide and Tin Carbide Nanostructures
title_sort numerical simulation study of the mechanical behaviour of 1d and 2d germanium carbide and tin carbide nanostructures
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10419946/
https://www.ncbi.nlm.nih.gov/pubmed/37570189
http://dx.doi.org/10.3390/ma16155484
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