8-12 July 2013
Africa/Johannesburg timezone
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Computer Simulation Study Of Manganese Dioxide Nanotubes

Presented by Mr. DAVID TSHWANE on 9 Jul 2013 from 16:00 to 16:20
Type: Oral Presentation
Session: DCMPM1
Track: Track A - Division for Condensed Matter Physics and Materials

Abstract

The field of nanotubes is undergoing an explosive growth, fueled by a breakthrough in synthesis and promise of unique applications. Manganese dioxide is a widely used material in supercapacitor because of low-cost and high energy density. Manganese dioxide nanotubes play an important role in electrochemical applications, including serving as cathode material in lithium-ion batteries. Computer simulation methods were used to generate various structures of manganese dioxide nanotubes, where index, size, symmetry and diameter are varied. Molecular dynamics was used to investigate the local structure of manganese dioxide nanotubes at different temperatures ranging from 300K to 3300K. The nanotubes structures were described using the radial distribution function. The structural stability of nanotubes generated from low index surfaces was investigated and found that {110} surface produced the most stable nanotube.

Award

No

Supervisor

R.R. Maphanga University of Limpopo

Paper

No

Place

Location: A2-75


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