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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...

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Detalles Bibliográficos
Autores principales: Yu, Xiaodong, Li, Haipeng, Zhou, Jiasheng
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/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.
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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
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