Speaker
Mr
Ibrahim Abdallah
(chool of Physics, University of the Witwatersrand)
Description
The thermoelectric properties of organic-inorganic halide perovskite CH3NH3PbI3 were studied by solving the semiclassical Boltzmann transport equations on top of density functional theory calculations by using maximally-localised Wannier functions (MLWFs). Electronic transport properties were evaluated within the constant relaxation time approximation at four different temperatures 300 K, 500 K, 700 K, and 900 K. The electrical conductivity (σ) was found to be almost constant in the entire temperature range, while the Seebeck coefficient (S) was found to decrease with increasing temperature and the electronic thermal conductivity (κ) was found to increase with increasing temperature. Theoretical results for the power factor (S2 σ) and the figure of merit (ZT ) are analysed. The highest predicted average figure of merit is 0.85 at 900 K.
Apply to be<br> considered for a student <br> award (Yes / No)?
yes
Main supervisor (name and email)<br>and his / her institution
Daniel P. Joubert
Daniel.Joubert2@wits.ac.za
The National Institute for Theoretical Physics, School of Physics and Mandelstam Institute for Theoretical Physics,
University of the Witwatersrand, Johannesburg, Wits 2050, South Africa.
Level for award<br> (Hons, MSc, <br> PhD, N/A)?
PhD
Would you like to <br> submit a short paper <br> for the Conference <br> Proceedings (Yes / No)?
yes
Primary author
Mr
Ibrahim Abdallah
(chool of Physics, University of the Witwatersrand)
Co-authors
Prof.
Daniel Joubert
(School of Physics, University of the Witwatersrand)
Dr
Mohammed Suleiman
(Department of Basic Sciences, Imam Abdulrahman Bin Faisal University, Dammam, KSA.)
