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.
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TE Mosuang, email@example.com
University of Limpopo
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