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Theses and Dissertations (Physics): Recent submissions
Now showing items 1-20 of 49
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(2007)The aim of this thesis is to study the structure and reactivity of FeS2 (pyrite).The transition metal sulphide, FeS2 crystallizes into cubic (pyrite) and orthorhombic (marcasite), is an important member of the sulphides ...
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(2006)The structural, electronic and optical properties of titanium dioxide (TiO2) in anatase phase have been studied by first-principle self-consistent local density approximation. Norm-conserving pseudopotentials were utilized ...
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(2022)Transition metal nanoclusters have attracted a significant attention in both theoretical and experimental studies due to their unique properties such as structural, electronic and magnetic. These properties are distinct, ...
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(2021)Titanium-based shape memory alloys have attracted a lot of attention due to their important technological applications including actuator devices, electronics, and medical stents. This is due to their shape memory effects ...
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(2022)The vast majority of typical cathode materials for lithium ion batteries suffers from severe specific capacity due to structural changes that occur during the process of cycling, which may lead to fractures within the ...
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(2021)The stead-fast demand for sustainable lithium-ion batteries (LIB) with competitive electrochemical properties, safety, reduced costs, and long-life cycle, calls for intensive efforts towards the development of new battery ...
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Density functional theory study of (110)B-MnO2, B-TiO, and b-VO2, surface in metal - air batteries (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 ...
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(2022)The gas sensing performance of two-dimensional (2D) hexagonal boron nitride nanosheets (h-BNNSs) has being studied by means of computational and experimental methods. The structural, stability and vacancies properties ...
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(2017)The undoped ZnO nanoparticles, In or Co single doped ZnO nanoparticles and the In and Co combinational doped ZnO nanoparticles were synthesised through sol-gel technique. The samples were characterised using XRD, TEM, ...
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(2020)The Glentig, Alma and Swaershoek Formations were deposited after the emplacement of the Bushveld igneous complex (BIC). The sediments accumulated in what is termed as the proto-basin of the Waterberg Group. The Glentig ...
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(2021)The ab initio density functional theory and molecular dynamics approach have been used to study the properties of Zr-based systems. In particular Zr-Nb, Zr-Nb-X (X = Co and Sn). We have calculated the structural, ...
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(2020)Titanium dioxide is among the most abundant materials and it has many of interesting physical and chemical properties (i.e., low density, high thermal and mechanical strength, insensitivity to corrosion) that make it a ...
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(2021)First-principles density functional theory has been used to study the stabilities of binary TiPt, TiTa, TiNi and TiCo potential shape memory alloys. Furthermore, ternary alloys Ti50Pt50-xMx with V, Ta, Hf and quaternary ...
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(2020)In this work, we present first-principles calculation on the structural, thermodynamic, mechanical and electronic stabilities of Fe-Al and FeAl-X (X: Pt, Pd, Ru and Ag) alloys at lower and high temperatures. These systems ...
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(2020)Titanium dioxide is among the most abundant materials and it has many of interesting physical and chemical properties (i.e., low density, high thermal and mechanical strength, insensitivity to corrosion) that make it ...
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(2021)Titanium is the most abundant element in the earth’s crust and can be produced as both a metal and in powder form. It finds applications in various industries such as in medical and aerospace, where the fabrication of ...
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(2021)Globally and in most parts of South Africa, there is a trend of increasing shrub encroachment in savanna rangelands. A number of studies have investigated the impact of shrub encroachment on soil organic carbon content ...
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(2021)Mining activities for mineral resources over the years have, according to certain people, resulted in soil damage in the Atok area because of huge amounts of waste earth and rock that was brought to the surface, this waste ...
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(2020)Sperrylite (PtAs2), platarsite (PtAsS) and palladoarsenide (Pd2As) are platinum group minerals (PGMs) predominantly found in the Platreef Bushveld Complex in South Africa, which is one of the leading countries with ...
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Lithium manganese oxide (LiMn2O4) spinel surfaces and their interaction with the electrolyte content (2020)This dissertation presents the results of the ab-initio based computational studies of spinel lithium manganese oxide (LiMn2O4) bulk, surfaces, and the adsorption of an organic electrolyte, ethylene carbonate. The ...
Now showing items 1-20 of 49
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