30 November 2025 to 3 December 2025
Century City Conference Centre
Africa/Johannesburg timezone
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A first principle study of thermoelectric properties of some chalcogenides materials

3 Dec 2025, 12:00
20m
1/1-11 - Room 11 (Century City Conference Centre)

1/1-11 - Room 11

Century City Conference Centre

100
Talk Materials Science HPC Applications

Speaker

Dr Moshibudi Ramoshaba (university of Limpopo)

Description

M Ramoshaba, T E Mosuang
Department of Physics, University of Limpopo, Private Bag x1106, Sovenga, 0727, South Africa
E-mail: moshibudi.ramoshaba@ul.ac.za

Thermoelectric chalcogenide materials exhibit promising properties, making them suitable for energy
conversion and cooling applications. Thermoelectric (TE) materials have attracted significant interest
due to their potential for energy harvesting and conservation. For a material to be considered an
efficient thermoelectric material, it must possess low thermal conductivity, high electrical
conductivity, a high Seebeck coefficient, and a high power factor. These characteristics contribute to
strong thermoelectric performance, leading to a favorable figure of merit (ZT). Although several
promising bulk semiconductors have been reported by researchers, no satisfactorily high ZT values
have yet been achieved. Chalcogenide semiconductors may provide a solution to this challenge. Using
density functional theory (DFT) and Boltzmann transport theory, the thermoelectric properties of
selected chalcogenide materials (Cu₂S, Cu₂Se, InS, and InSe) were analyzed. These studies revealed
strong thermoelectric performance, as the predicted maximum ZT values indicated high efficiency in
these materials.

Presenting Author Ramoshaba Moshibudi
Institute University of Limpopo

Primary author

Dr Moshibudi Ramoshaba (university of Limpopo)

Co-author

Thuto Mosuang (University of Limpopo)

Presentation Materials