Speaker
Mr
James Ntimane
(University of Limpopo)
Would you like to <br> submit a short paper <br> for the Conference <br> Proceedings (Yes / No)?
Yes
Abstract content <br> (Max 300 words)
The stability of some point defects in tin-dioxide is being examined. Particularly, an oxygen vacancy and Titanium impurity in tin-dioxide are being modelled to understand whether they can enhance or impede tin-dioxide properties. Classical molecular dynamics simulations focused on the structure and equilibrium properties of these defects is being used. The defect formation energies for the two defects type are used to determine the most stable defect. Calculations also give evidence of the possible mechanism for the anatase to rutile tin-dioxide phase transformation.
Level for award<br> (Hons, MSc, <br> PhD)?
N/A
Main supervisor (name and email)<br>and his / her institution
TE Mosuang - thuto.mosuang@ul.ac.za
University of Limpopo
Apply to be<br> consider for a student <br> award (Yes / No)?
No
Primary authors
Mr
James Ntimane
(University of Limpopo)
Dr
Thuto Mosuang
(University of Limpopo)
Co-author
Prof.
Erasmus Rammutla
(University)
