9-13 July 2012
Africa/Johannesburg timezone
<a href="http://events.saip.org.za/internalPage.py?pageId=11&confId=14"><font color=#ff0000>SAIP2012 PROCEEDINGS AVAILABLE</font></a>

Structural properties of some defects in tin-dioxide (SnO<sub>2</sub>)

12 Jul 2012, 17:30
IT Building

IT Building

Poster Presentation Track A - Division for Condensed Matter Physics and Materials Poster Session


Mr James Ntimane (University of Limpopo)

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Abstract content <br> &nbsp; (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.

Would you like to <br> submit a short paper <br> for the Conference <br> Proceedings (Yes / No)?


Main supervisor (name and email)<br>and his / her institution

TE Mosuang - thuto.mosuang@ul.ac.za
University of Limpopo

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Primary authors

Mr James Ntimane (University of Limpopo) Dr Thuto Mosuang (University of Limpopo)


Prof. Erasmus Rammutla (University)

Presentation Materials

Peer reviewing