Abstract
The thermal conductivity of nano-porous Silicon with amorphous shells around the pores is computed by Molecular Dynamics simulations. For the latter property, a systematic investigation of the porosity and the thickness of the amorphous shells has been performed. Sub-amorphous thermal conductivity is reached for systems with large porosity and amorphous shell, while a non-negligible fraction of crystalline Silicon phase is still present. The thermal conductivity of all studied systems can be controlled by a key parameter which is the ratio of crystalline/amorphous or crystalline/void interface to the volume of material.
Highlights
Nano-porous semiconductors have been intensively investigated during the last decade
Each computation is replicated 10 times with different initial conditions in order to reduce uncertainties. This method was validated by retrieving the thermal conductivity of bulk crystalline Silicon (k = 170 ± 21 W/m.K) with different sizes of simulation box
We compare the thermal conductivity of nanoporous Silicon without and with amorphous shells
Summary
Nano-porous semiconductors have been intensively investigated during the last decade. A comparison of the thermal conductivity between nano-porous materials with and without shell around the pores is given. We compute the thermal conductivity of an infinite size system with spherical nano-pores periodically spread across the material.
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
