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Stability of Non-Concentric, Multilayer, and Fully Aligned Porous MoS(2) Nanotubes
Nanotubes made of non-concentric and multiple small layers of porous MoS(2) contain inner pores suitable for membrane applications. In this study, molecular dynamics simulations using reactive potentials were employed to estimate the stability of the nanotubes and how their stability compares to mac...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9415411/ https://www.ncbi.nlm.nih.gov/pubmed/36005733 http://dx.doi.org/10.3390/membranes12080818 |
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author | Peña-Obeso, Pablo Jahir Huirache-Acuña, Rafael Ramirez-Zavaleta, Fernando Iguazú Rivera, José Luis |
author_facet | Peña-Obeso, Pablo Jahir Huirache-Acuña, Rafael Ramirez-Zavaleta, Fernando Iguazú Rivera, José Luis |
author_sort | Peña-Obeso, Pablo Jahir |
collection | PubMed |
description | Nanotubes made of non-concentric and multiple small layers of porous MoS(2) contain inner pores suitable for membrane applications. In this study, molecular dynamics simulations using reactive potentials were employed to estimate the stability of the nanotubes and how their stability compares to macroscopic single- (1L) and double-layer MoS(2) flakes. The observed stability was explained in terms of several analyses that focused on the size of the area of full-covered layers, number of layers, polytype, and size of the holes in the 1L flakes. The reactive potential used in this work reproduced experimental results that have been previously reported, including the small dependency of the stability on the polytype, the formation of S–S bonds between inter- and intra-planes, and the limit of stability for two concentric rings forming a single ring-like flake. |
format | Online Article Text |
id | pubmed-9415411 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-94154112022-08-27 Stability of Non-Concentric, Multilayer, and Fully Aligned Porous MoS(2) Nanotubes Peña-Obeso, Pablo Jahir Huirache-Acuña, Rafael Ramirez-Zavaleta, Fernando Iguazú Rivera, José Luis Membranes (Basel) Article Nanotubes made of non-concentric and multiple small layers of porous MoS(2) contain inner pores suitable for membrane applications. In this study, molecular dynamics simulations using reactive potentials were employed to estimate the stability of the nanotubes and how their stability compares to macroscopic single- (1L) and double-layer MoS(2) flakes. The observed stability was explained in terms of several analyses that focused on the size of the area of full-covered layers, number of layers, polytype, and size of the holes in the 1L flakes. The reactive potential used in this work reproduced experimental results that have been previously reported, including the small dependency of the stability on the polytype, the formation of S–S bonds between inter- and intra-planes, and the limit of stability for two concentric rings forming a single ring-like flake. MDPI 2022-08-22 /pmc/articles/PMC9415411/ /pubmed/36005733 http://dx.doi.org/10.3390/membranes12080818 Text en © 2022 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 Peña-Obeso, Pablo Jahir Huirache-Acuña, Rafael Ramirez-Zavaleta, Fernando Iguazú Rivera, José Luis Stability of Non-Concentric, Multilayer, and Fully Aligned Porous MoS(2) Nanotubes |
title | Stability of Non-Concentric, Multilayer, and Fully Aligned Porous MoS(2) Nanotubes |
title_full | Stability of Non-Concentric, Multilayer, and Fully Aligned Porous MoS(2) Nanotubes |
title_fullStr | Stability of Non-Concentric, Multilayer, and Fully Aligned Porous MoS(2) Nanotubes |
title_full_unstemmed | Stability of Non-Concentric, Multilayer, and Fully Aligned Porous MoS(2) Nanotubes |
title_short | Stability of Non-Concentric, Multilayer, and Fully Aligned Porous MoS(2) Nanotubes |
title_sort | stability of non-concentric, multilayer, and fully aligned porous mos(2) nanotubes |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9415411/ https://www.ncbi.nlm.nih.gov/pubmed/36005733 http://dx.doi.org/10.3390/membranes12080818 |
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