• Computational modelling study on phase stability of Li2MnO3 cathode material for lithium-ion batteries 

  Mphahlele, Mamonamane Gratitude (2023)

  Li2MnO3 has been identified as a promising cathode material for secondary lithium-ion batteries due to its high theoretical capacity, nontoxicity and low cost. However, its application is hindered by structural transformations ...
• Reducion of a, B-alkynyl carbonyl compounds using SnCl2 and computational investigationof the reaction mechanism. 

  Ralepelle, Ursula (2023)

  The development of an efficient method for the reduction of α, β-alkynyl carbonyl compounds, is mostly important in organic synthesis, playing a crucial role in the synthesis of pharmaceuticals, pesticides, polymers, and ...
• Design and synthesis of quinoline-triazole schiff base metal complexes as potential anti-cancer agents 

  Mokoena, Terrinne Palesa (2023)

  The aim of the project was to synthesize quinoline-1,2,3-triazole Schiff base hybrids as promising anti-cancer agents. A laboratory prepared 2-Amino-3,5dibromoactophenone was subjected to Claisen-Schmidt aldol-condensation ...
• Efficient design towards highly selective low/self-powered gas sensor 

  Mamabolo, Mashaole Stuart (2023)

  The daily population activities linked to the emission of various hazardous gases that can be toxic, explosive, and flammable such as CO, H2S, SO2, NOx, CO2, and volatile organic compounds have a negative impact on human ...
• Development of machine learning models for predicting properties of sodium-ion battery materials 

  Monareng, Keletso Mabel (2023)

  In this work, machine learning regression techniques are applied to a large amount of data from Materials Project Database, to develop machine learning models capable of accurately predicting the properties of sodium-ion ...
• Synthesis of imidazopyridazine and pyrazolopyrimidine derivatives as potential inhibitors of Plasmodium kinases P14K and PKG 

  Mabatamela, Lebogang Frans (2023)

  Malaria is a disease that is caused by various Plasmodium species, with Plasmodium falciparum and vivax being the most prevalent. The disease is usually mostly severe in pregnant women and children under the age of five. ...
• Enhenced gas sensing perfomance induced by CuO-ZnO heterostructure towards NO2 gas 

  Maebana, Lekgolo Malesela (2023)

  The selective detection of gaseous benzene, toluene, ethylbenzene, and xylene (BTEX) is challenging due to their similar molecular structures. In addition, BTEX vapours are extremely hazardous and carcinogenic. Thus, ...
• Multi-scale modelling of oxide-based solid state battery 

  Maphoto, Refiloe Innocencia (2023)

  The oxide garnet Li7La3Zr2O12 (LLZO) exhibits high Li-ion conductivity and chemical stability when in contact with lithium metal anodes, making it a promising solid electrolyte for Li-based batteries. The tetragonal ...
• Effect of nanosized phthalocyanine on the photovoltaic performance of titanium oxide/metal organic framework composite 

  Ramaripa, Phuti Suzan (2023)

  This thesis reports on the dye sensitized solar cell (DSSC), an unconventional opportunity for silicon solar cell owing to their flexibility, transparency and low cost. DSSC is one of the electrical production technology, ...
• Improvement of gas sensing selectivity of vanadium pentoxide nano-structures towards sulphur dioxide by gold doping 

  Mokwena, Mick Molukie (2023)

  A facile reflux method was used to synthesise undoped and Au-doped V2O5 nanoparticles powder samples at concentrations ranging from 1 wt% to 5 wt%. The prepared samples’ structural and optical properties were examined ...
• Atomistic simulation studies of Li+, Na+ and Mg2+ inserted nano- architectured Ti02 for metal ion batteries 

  Rikhotso, Blessing Nkateko (2023)

  Since the rechargeable battery performance involving TiO2 anode strongly depends on its structural, transport and electrochemical properties, it is important to explore different TiO2 nanostructures in order to improve its ...
• Atomistic simulation studies of Li2MnO3 nanoarchitectures 

  Mogashoa, Tshidi (2023)

  High-energy lithium-ion batteries (LIBs) are in high demand for the establishment of electric vehicles and hybrid vehicles in the automotive sector. Considering that the cathode is the limiting factor, it is of significant ...
• Evolutionary algorithm simulation study of MnO2 nanoclusters 

  Masoga, Wesley Phala (2023)

  Transition metal-oxides have garnered significant attention due to their different allotropic polymorphs with unique structural and electronic properties necessary for the creation of new and improved rechargeable battery ...
• Ion imprinted polymer/metal-organic framework composites as efficient adsorbents for selective recognition and separation of selected platinum group metals from wastewater 

  Maponya, Thabiso Carol (2023)

  Platinum group metal (PGMs) are the most extracted non-renewable mineral resources in South African due to their high demand for various applications. During mineral processing some of these valuable metals are lost into ...
• Atomistic simulation studies of Li2MnO3 Nanoarchitectures 

  Mogashoa, Tshidi (2023)

  High-energy lithium-ion batteries (LIBs) are in high demand for the establishment of electric vehicles and hybrid vehicles in the automotive sector. Considering that the cathode is the limiting factor, it is of significant ...
• Computational modelling and EXAFS studies of electrolytic manganese dioxide 

  Maphanga, Rapela Regina (2005)

  Electrolytic Manganese Dioxide (EMD) is an important material for manufacturing alkaline electrolyte in commercial batteries. The structure of this material, which tends to be an intergrowth of pyrolusite and ramsdellite ...
• Computer modelling of transition metal sulphide (FeS₂) 

  Mehlape, Mofuti Amos (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 ...
• Computer modelling of pure and doped titanium dioxide in anatase structure 

  Matshaba, Malili Gideon (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 ...
• Computational modelling studies of titanium TiN (N = 2-32) nanoclusters 

  Phaahla, Tshegofatso Michael (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, ...
• Computational modelling of martesitic transformation of TiPd memory alloys 

  Diale, Ramogohlo Given (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 ...

View more