Speaker
Dr
Thuto Mosuang
(University of Limpopo)
Main supervisor (name and email)<br>and his / her institution
TE Mosuang, thuto.mosuang@ul.ac.za
University of Limpopo
Apply to be<br> considered for a student <br> award (Yes / No)?
No
Abstract content <br> (Max 300 words)
The present study use classical molecular dynamics technique to report the effect of Ti and Y impurities in tin-dioxide.Empirical Buckingham potential has been chosen to describe the interatomic interations in tin-dioxide. Total energy NPT nose-hoover ensemble at various temperatures has been calculated in order to determine the effect of Ti and Y substitutional defects in tin-dioxide. The results obtained suggest that Ti defect lowers the energy of the host tin-dioxide. The radial distribution functions of Ti doped tin-dioxide suggest the transfromation of anatase to rutile phase at ambiemt temperatures.
Would you like to <br> submit a short paper <br> for the Conference <br> Proceedings (Yes / No)?
No
Primary author
Dr
Thuto Mosuang
(University of Limpopo)
