1-4 December 2024
Boardwalk Convention Centre
Africa/Johannesburg timezone
Keynote starting now at 19:00.

Density functional theory of thermoelectric properties of graphene

3 Dec 2024, 11:40
20m
BICC.G-C1 - C1 Tsitsikamma (Boardwalk Convention Centre)

BICC.G-C1 - C1 Tsitsikamma

Boardwalk Convention Centre

200
Talk Materials Science HPC Applications

Speaker

Dr Moshibudi Ramoshaba (University of Limpopo)

Description

Thermoelectricity is the phenomenon direct and thermodynamically reversible conversion of heat to electricity and vice versa. Graphene is one of the carbon-based materials with a low dimensions and mechanically robust, and it tend to have better performance in thermoelectric. Electronic and thermoelectric properties were computed and analysed using density functional theory with a full-potential all-electrons linearised augmented plane waves. The electronic band structure shows a zero band gap with conduction and valence band meeting above the fermi level between the symmetry points H and K. The thermoelectric transport coefficients, Seebeck coefficient, electrical conductivity, thermal conductivity, power factor and figure of merit were calculated using first principle of density of states. Furthermore, a high Seebeck coefficient, electrical conductivity and high power factor were recorded, and these make graphene to be one of the good thermoelectric material and might be applicable for solar cells applications.

Primary authors

Dr Moshibudi Ramoshaba (University of Limpopo) Prof. Thuto Mosuang (University of Limpopo)

Presentation Materials

There are no materials yet.