25-29 June 2018
Africa/Johannesburg timezone
General information and Registration for SAIP2018 is handled by Eastern Sun Events at: http://www.saipconference.co.za/ <p> Deadline for papers for the conference proceedings is 28 July 2018

Computational investigation of vacancy ordering in gamma-Mn<sub>2</sub>O<sub>3</sub>.

26 Jun 2018, 15:00
2h
Poster Presentation Track A - Physics of Condensed Matter and Materials Poster Session 1

Speaker

Dr Khomotso Maenetja (University of Limpopo)

Description

A high energy demand as a result of a growth in living standards and population has stimulated the efforts to develop high energy density power sources which is, metal air batteries. However, the fundamental challenge that limits the use of metal air battery technology is the ability to find a catalyst that will catalyse Oxygen Reduction Reaction (ORR) and Oxygen Evolution Reaction (OER). Density Functional study was employed to investigate the ordered tetragonal structure using a supercell of the cubic structure Mn3O4. We obtain the spectrum of energies of all the ordered configurations which contribute to the partially disordered Mn2O3 structure. The degree of ordering in manganese vacancies in the octahedral sites appears to be more stable than the in tetrahedral manganese.

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Primary author

Dr Khomotso Maenetja (University of Limpopo)

Co-author

Prof. Phuti Ngoepe (University of Limpopo)

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