Speaker
Mr
Mahmoud Mahmoud
(University of the Witwatersrand)
Description
Thermoelectric devices can convert heat into an electric current and have immense potential for efficient
use available energy. This includes converting heat energy from internal combustion engines, conventional
power plants and solar cells into usable energy. Research into finding efficient thermoelectric materials has
intensified over the past decade. One of the desired features of efficient thermoelectric materials is a low
lattice thermal conductivity. In other words, the thermal energy transported by the motion of the atoms in
a thermoelectric materials should be small. Recent research suggests that some layered materials may be
materials with this property. In this study we used first-principle calculations to investigate the structural,
electronic, and vibrational properties of bulk WSe2 , a layered material. The lattice thermal conductivity
was calculated by using a single-mode relaxation-time approximation in the linearized phonon Boltzmann
equation from first-principles an-harmonic lattice dynamics calculations. We find that the lattice thermal
conductivity of WSe2 is non-isotropic, with a value of 63.78 Wm−1K−1 in the direction of the plane and
2.39 W m −1 K −1 perpendicular to the plane at room temperature. The thermal conductivity perpendicular
to the plane is close to experimental value at room temperature, and is in a range which makes this an
interesting material as a potential active component in a thermoelectric device.
Apply to be<br> considered for a student <br> award (Yes / No)?
yes
Would you like to <br> submit a short paper <br> for the Conference <br> Proceedings (Yes / No)?
yes
Main supervisor (name and email)<br>and his / her institution
Professor D.P.Joubert
daniel.joubert2@wits.ac.za
School of Physics
University of the Witwatersrand
Level for award<br> (Hons, MSc, <br> PhD, N/A)?
PhD
Primary author
Mr
Mahmoud Mahmoud
(University of the Witwatersrand)
Co-author
Prof.
Daniel Joubert
(University of the Witwatersrand)
