Thermally‐Active Screw Dislocations in Si Nanowires and Nanotubes

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. As a service to our authors and readers, this journal provides supporting information supplied by the authors. Such materials are peer reviewed and may be re-organized for online delivery, but are not copy-edited or typeset. Technical support issues arising from supporting information (other than missing files) should be addressed to the authors. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.