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Phonon thermal conductivity reduction in silicene nanotubes with isotope substitution
We used molecular dynamics simulations to study the isotopic doping effects on phonon thermal conductivity in armchair silicene nanotubes (SNTs). The phonon thermal conductivity of armchair SNTs can be effectively tuned with isotope substitution. Randomly and superlattice-structured isotopic doping...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9050395/ https://www.ncbi.nlm.nih.gov/pubmed/35492925 http://dx.doi.org/10.1039/d0ra00834f |
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author | Yu, Xiaodong Li, Haipeng Zhou, Jiasheng |
author_facet | Yu, Xiaodong Li, Haipeng Zhou, Jiasheng |
author_sort | Yu, Xiaodong |
collection | PubMed |
description | We used molecular dynamics simulations to study the isotopic doping effects on phonon thermal conductivity in armchair silicene nanotubes (SNTs). The phonon thermal conductivity of armchair SNTs can be effectively tuned with isotope substitution. Randomly and superlattice-structured isotopic doping can significantly reduce thermal conductivity. By analyzing the phonon vibrational spectrum, we reveal the underlying physical insights into the relationship between randomly isotopic doping concentration and thermal conductivity. Given the same doping concentration, the superlattice-structured doping method can reduce thermal conductivity more significantly than the disordered doping. For the isotopic superlattice doping method, the completion between the phonon interfacial scattering and phonon tunneling may cause minimum thermal conductivity at the critical period length. This study provides a possible means to effectively reduce the thermal conductivity of thermoelectric SNTs through isotopic doping engineering. |
format | Online Article Text |
id | pubmed-9050395 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | The Royal Society of Chemistry |
record_format | MEDLINE/PubMed |
spelling | pubmed-90503952022-04-29 Phonon thermal conductivity reduction in silicene nanotubes with isotope substitution Yu, Xiaodong Li, Haipeng Zhou, Jiasheng RSC Adv Chemistry We used molecular dynamics simulations to study the isotopic doping effects on phonon thermal conductivity in armchair silicene nanotubes (SNTs). The phonon thermal conductivity of armchair SNTs can be effectively tuned with isotope substitution. Randomly and superlattice-structured isotopic doping can significantly reduce thermal conductivity. By analyzing the phonon vibrational spectrum, we reveal the underlying physical insights into the relationship between randomly isotopic doping concentration and thermal conductivity. Given the same doping concentration, the superlattice-structured doping method can reduce thermal conductivity more significantly than the disordered doping. For the isotopic superlattice doping method, the completion between the phonon interfacial scattering and phonon tunneling may cause minimum thermal conductivity at the critical period length. This study provides a possible means to effectively reduce the thermal conductivity of thermoelectric SNTs through isotopic doping engineering. The Royal Society of Chemistry 2020-03-13 /pmc/articles/PMC9050395/ /pubmed/35492925 http://dx.doi.org/10.1039/d0ra00834f Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by-nc/3.0/ |
spellingShingle | Chemistry Yu, Xiaodong Li, Haipeng Zhou, Jiasheng Phonon thermal conductivity reduction in silicene nanotubes with isotope substitution |
title | Phonon thermal conductivity reduction in silicene nanotubes with isotope substitution |
title_full | Phonon thermal conductivity reduction in silicene nanotubes with isotope substitution |
title_fullStr | Phonon thermal conductivity reduction in silicene nanotubes with isotope substitution |
title_full_unstemmed | Phonon thermal conductivity reduction in silicene nanotubes with isotope substitution |
title_short | Phonon thermal conductivity reduction in silicene nanotubes with isotope substitution |
title_sort | phonon thermal conductivity reduction in silicene nanotubes with isotope substitution |
topic | Chemistry |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9050395/ https://www.ncbi.nlm.nih.gov/pubmed/35492925 http://dx.doi.org/10.1039/d0ra00834f |
work_keys_str_mv | AT yuxiaodong phononthermalconductivityreductioninsilicenenanotubeswithisotopesubstitution AT lihaipeng phononthermalconductivityreductioninsilicenenanotubeswithisotopesubstitution AT zhoujiasheng phononthermalconductivityreductioninsilicenenanotubeswithisotopesubstitution |