Thermal conductivity of armchair black phosphorus nanotubes: A molecular dynamics study

Feng HAO, Xiangbiao LIAO, Hang XIAO, Xi CHEN

Research output: Journal PublicationsJournal Article (refereed)peer-review

29 Citations (Scopus)


The effects of size, strain, and vacancies on the thermal properties of armchair black phosphorus nanotubes are investigated based on qualitative analysis from molecular dynamics simulations. It is found that thermal conductivity has a remarkable size effect, because of the restricted paths for phonon transport, which is strongly dependent on the diameter and length of the nanotube. Owing to the intensified low-frequency phonons, axial tensile strain can facilitate thermal transport. In contrast, compressive strain weakens thermal transport due to the enhanced phonon scattering around the buckling of the nanotube. In addition, the thermal conductivity is dramatically reduced by single vacancies, particularly those with high defect concentrations. © 2016 IOP Publishing Ltd.
Original languageEnglish
Article number155703
Issue number15
Early online date29 Feb 2016
Publication statusPublished - 15 Apr 2016
Externally publishedYes


  • a-PNT
  • defect
  • size effect
  • strain
  • thermal conductivity


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