Browsing School of Physical and Mineral Sciences by Subject "Batteries"

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Density functional theory study of (110)B-MnO2, B-TiO, and b-VO2, surface in metal - air batteries

Maenetja, Khomotso Portia (2017)

Density functional theory (DFT) study is employed in order to investigate the surfaces of, β-MnO2, β-TiO2 and β-VO2 (β-MO2) which act as catalysts in Li/Na-air batteries. Adsorption and co-adsorption of metal (Li/Na) and ...
A Theoretical Study of Alkali Metal Intercalated Layered Metal Dichalcogenides and Chevrel Phase Molybdenum Chalcogenides

Kganyago, Khomotso R. (University of Limpopo (Turfloop Campus), 2004)

This thesis explores the important issues associated with the insertion of Mg2+ and Li+ into the solid materials: molybdenum sulphide and titanium disulphide. This process, which is also known as intercalation, is driven ...

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