Thermally-active screw dislocations in si nanowires and nanotubes

Shiyun Xiong, Jihong Ma, Sebastian Volz, Traian Dumitricǎ

Research output: Contribution to journalArticle

25 Scopus citations

Abstract

Dislocations significantly influence the physical properties of nanomaterials. Nonequilibrium molecular dynamics simulations uncover significant reductions in thermal conductivity when <110> Si nanowires contain axial screw dislocations. The effect can act in combination with other known thermal conductivity limiting mechanisms, and thus can enable the further optimization of the figure of merit for a new family of complex thermoelectric nanomaterials.

Original languageEnglish (US)
Pages (from-to)1756-1760
Number of pages5
JournalSmall
Volume10
Issue number9
DOIs
StatePublished - May 14 2014

Keywords

  • dislocations
  • molecular dynamics
  • nanostructures
  • thermal conductivity
  • thermoelectricity

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