6–10 Jul 2026
University of the Western Cape
Africa/Johannesburg timezone
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Thermoelectric properties of Tungsten diselenide (WSe2), a density functional theory study

7 Jul 2026, 17:20
1h 20m
Great Hall (University of the Western Cape)

Great Hall

University of the Western Cape

Poster Presentation Track A - Physics of Condensed Matter and Materials Poster Session 1

Speaker

Dr Moshibudi Ramoshaba (UNIVERSITY OF LIMPOPO)

Description

Tungsten diselenide (WSe₂), a layered transition metal dichalcogenide, has attracted significant attention due to its promising electronic and thermoelectric properties. In this study, the thermoelectric performance of WSe₂ is systematically investigated using first-principles calculations based on density functional theory (DFT) combined with semi-classical Boltzmann transport theory. The electronic band structure reveals that WSe₂ is a semiconductor with an indirect band gap, which plays a crucial role in determining its transport properties. The results indicate that WSe₂ exhibits a high Seebeck coefficient, attributed to its sharp density of states near the Fermi level. Furthermore, its relatively low lattice thermal conductivity, enhances its thermoelectric efficiency. The calculated figure of merit (ZT) suggests that WSe₂ has potential as an efficient thermoelectric material, particularly at elevated temperatures. These findings highlight the suitability of WSe₂ for energy harvesting applications and provide insights into the design of high-performance thermoelectric materials based on two-dimensional systems.

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Author

Dr Moshibudi Ramoshaba (UNIVERSITY OF LIMPOPO)

Co-authors

Dr Makgoba Malesela (UNIVERSITY OF LIMPOPO) Prof. Thuto Mosuang (University of Limpopo)

Presentation materials

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