7-11 July 2014
Africa/Johannesburg timezone
<a href="http://events.saip.org.za/internalPage.py?pageId=16&confId=34"><font color=#0000ff>SAIP2014 Proceedings published on 17 April 2015</font></a>

Computer simulation study of spinel LiMn<sub>2</sub>O<sub>4</sub> nanotubes as a cathode material for lithium-ion batteries

9 Jul 2014, 17:10
1h 50m
D Ring ground level

D Ring ground level

Board: A.90
Poster Presentation Track A - Division for Physics of Condensed Matter and Materials Poster2


Mr David Magolego TSHWANE (University of Limpopo)

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Abstract content <br> &nbsp; (Max 300 words)<br><a href="http://events.saip.org.za/getFile.py/access?resId=0&materialId=0&confId=34" target="_blank">Formatting &<br>Special chars</a>

Improvement of the energy density and power density of the lithium-ion batteries is urgently required with the rapid development of electronic devices. Developing nanostructured electrode materials represented one of the most attractive strategies to dramatically enhance battery performance. Spinel LiMn2O4 is one of the most important promising cathode materials due to its nontoxicity and its low cost. In these paper, computer simulation methods are used to generate various structures of spinel LiMn2O4 nanotubes, where index, size, symmetry and diameter are varied. Molecular dynamics simulation is used to investigate the local structure of spinel LiMn2O4 nanotubes and the effect of temperature on the generated systems. It was found that diameter, symmetry, size, orientation and miller index have a direct control on nanotube morphology and stability depends on surface and termination. The nanotube structures are described using the radial distribution functions and XRD patterns. The calculated XRD patterns are in agreement with experimental results.

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

Prof R.R. Maphanga
University of Limpopo

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Primary author

Mr David Magolego TSHWANE (University of Limpopo)


Prof. Phuti Ngoepe (University of Limpopo) Prof. Rapela Maphanga (University of Limpopo)

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