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Covalent three-dimensional carbon nanotube and derived B-C-N polymorphs with superhardness and zero Poisson’s ratio
Carbon is one of the most versatile atoms and fosters a wealth of carbon allotropes with superior mechanical and electronic properties. A three-dimensional covalent carbon nanotube, named CCN, with a hexagonal honeycomb-like crystalline structure is proposed theoretically. CCN consists of sp(3) bond...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Elsevier
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9700005/ https://www.ncbi.nlm.nih.gov/pubmed/36444307 http://dx.doi.org/10.1016/j.isci.2022.105563 |
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author | Chen, Shuang Hu, Meng Liu, Lingyu Pan, Yilong Li, Penghui He, Julong Ding, Jianning |
author_facet | Chen, Shuang Hu, Meng Liu, Lingyu Pan, Yilong Li, Penghui He, Julong Ding, Jianning |
author_sort | Chen, Shuang |
collection | PubMed |
description | Carbon is one of the most versatile atoms and fosters a wealth of carbon allotropes with superior mechanical and electronic properties. A three-dimensional covalent carbon nanotube, named CCN, with a hexagonal honeycomb-like crystalline structure is proposed theoretically. CCN consists of sp(3) bonded coaxially teamed (6,0) carbon nanotubes, and the tube walls possess intrinsic wrinkles, which trigger miraculous physical properties. The mechanical and thermal dynamic stabilities are confirmed, and molecular dynamics simulations indicate high temperature thermal stability up to 1500 K. CCN has an unusual cork-like zero Poisson’s ratio along the axial direction of the nanotubes, and the axial/radial stretching or compression rarely effects the radial/axial dimensions of the nanotubes. CCN is superhard with Vickers hardness of 82.8 GPa, matching that of cubic boron nitride. Substitution B and N atoms for C atoms result in superhard CCN-B(12)N(8) and CCN-C(8)N(12) with quasi-zero Poisson’s radio along both axial and radial directions. |
format | Online Article Text |
id | pubmed-9700005 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | Elsevier |
record_format | MEDLINE/PubMed |
spelling | pubmed-97000052022-11-27 Covalent three-dimensional carbon nanotube and derived B-C-N polymorphs with superhardness and zero Poisson’s ratio Chen, Shuang Hu, Meng Liu, Lingyu Pan, Yilong Li, Penghui He, Julong Ding, Jianning iScience Article Carbon is one of the most versatile atoms and fosters a wealth of carbon allotropes with superior mechanical and electronic properties. A three-dimensional covalent carbon nanotube, named CCN, with a hexagonal honeycomb-like crystalline structure is proposed theoretically. CCN consists of sp(3) bonded coaxially teamed (6,0) carbon nanotubes, and the tube walls possess intrinsic wrinkles, which trigger miraculous physical properties. The mechanical and thermal dynamic stabilities are confirmed, and molecular dynamics simulations indicate high temperature thermal stability up to 1500 K. CCN has an unusual cork-like zero Poisson’s ratio along the axial direction of the nanotubes, and the axial/radial stretching or compression rarely effects the radial/axial dimensions of the nanotubes. CCN is superhard with Vickers hardness of 82.8 GPa, matching that of cubic boron nitride. Substitution B and N atoms for C atoms result in superhard CCN-B(12)N(8) and CCN-C(8)N(12) with quasi-zero Poisson’s radio along both axial and radial directions. Elsevier 2022-11-13 /pmc/articles/PMC9700005/ /pubmed/36444307 http://dx.doi.org/10.1016/j.isci.2022.105563 Text en © 2022 The Author(s) https://creativecommons.org/licenses/by/4.0/This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Chen, Shuang Hu, Meng Liu, Lingyu Pan, Yilong Li, Penghui He, Julong Ding, Jianning Covalent three-dimensional carbon nanotube and derived B-C-N polymorphs with superhardness and zero Poisson’s ratio |
title | Covalent three-dimensional carbon nanotube and derived B-C-N polymorphs with superhardness and zero Poisson’s ratio |
title_full | Covalent three-dimensional carbon nanotube and derived B-C-N polymorphs with superhardness and zero Poisson’s ratio |
title_fullStr | Covalent three-dimensional carbon nanotube and derived B-C-N polymorphs with superhardness and zero Poisson’s ratio |
title_full_unstemmed | Covalent three-dimensional carbon nanotube and derived B-C-N polymorphs with superhardness and zero Poisson’s ratio |
title_short | Covalent three-dimensional carbon nanotube and derived B-C-N polymorphs with superhardness and zero Poisson’s ratio |
title_sort | covalent three-dimensional carbon nanotube and derived b-c-n polymorphs with superhardness and zero poisson’s ratio |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9700005/ https://www.ncbi.nlm.nih.gov/pubmed/36444307 http://dx.doi.org/10.1016/j.isci.2022.105563 |
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