University of Limpopo
Author in the following contributions
- Effect of Cu, Fe and Mn impurities on the bulk and surface structures of ZnS mineral
- Influence of Mn and Co Doping on the Recrystallisation Behaviour of Nanospherical LiNiO<sub>2</sub>: An Atomistic Study
- Investigation of the redox characteristics of the Co₃O₄ (001) surface
- Computational simulation of noble metals (Pd, Ir, and Os) as surface catalysts in metal air batteries
- Effect of pH on the adsorption behavior of xanthate, dithiocarbamate and s-triazine collectors on palladoarsenide (100) surface: A DFT-D3 investigation
- Temperature Dependance Studies of Fe1-XPtXAl Alloy
- Exploring Sodium-Doped Li2MnO3@Li0.69MnO2 Core-Shell Cathodes for Enhanced Structural Stability
- Dopant-Concentration Dependence of Structural and Transport Properties in Ni/Co-Doped LiMn2O4 spinel from Molecular Dynamics Simulations
- The effect of temperature on structural, and thermal properties of ZrTiVNbCr high entropy alloy
- Investigation of Ti4Nb2Pt2 shape memory alloys from binary phase diagram
- Molecular Insights into Novel Collector Adsorption on Hydrated Spodumene and Feldspar Surfaces: An AIMD-MLFF Study
- Investigating the maslovite (PtBiTe) surface stability and adsorp-tion of SDTBAT and SBOTTAs collectors using standard DFT and AIMD-MLFF.
- Transport Properties Insights toward the Enhancement of Bulk LiTi₂(PO₄)₃ Solid-State Electrolyte Materials
- Unravelling the adsorption behaviour of modified heterocyclic collectors on pyrite mineral surface
- Effect of Shell Thickness on Interfacial Stability in Li2MnO3 Core–Shell Cathodes
- Atomistic insights into the temperature effects on the structural and dynamic properties of cobaltite (CoAsS): A molecular dynamics study
- Fluorine-Doped Siligraphene (SiC₂): A Cluster Expansion and DFT Study of Stability, Electronic, and Mechanical Properties.
- Augmenting the mechanical properties of LiTi2(PO4)3 solid electrolyte through sulfur doping for better electrode-electrolyte contact
- AIMD-MLFF study of bulk, surface and collector’s adsorption on sperrylite (PtAs2) mineral
- Investigation of antiferromagnetic hematite bulk and surface properties using ab-initio method
- First‑Principles Investigation of Zn Adatom Adsorption on MO₂ (110) Surfaces
- Thermodynamic, structural, mechanical and electronic effects of fluorine doping in LiNiO2: A cluster expansion study
- Thermal and Structural Analysis of Li2MnO3-Li0.69MnO2 Core-Shell Systems using Molecular Dynamics Simulations
- First-Principles Investigation of Structural, Mechanical, Thermodynamic and Electronic Properties of High-Entropy Alloys for High-Temperature Applications.
- Computational study of violarite (NiFe2S4) surface stabilities
- CHEMICAL SURFACE PROPERTIES OF MN3O4 (001), (010) & (100) FACETS.
- First-principles study on Tin-doped Li1.2Mn0.8O2 cathode material for Lithium-ion batteries
- Computational Study of Thermodynamic, Mechanical, and Electronic Properties of LiMn1.5Ni0.5O4 Cathode Material
- Ni-Doped Li1+xM₂O₄ (M=Mn, Co) Nanoporous Materials for Lithium-ion Battery Cathodes
- Molecular dynamics simulations of TiO2 nanomaterials as a future anode electrode material
- Adsorption studies of dithiocarbamate collectors on the mooihoekite (402) surface
- Surface and electronic properties of LiTi2(PO4)3 as solid-state electrolyte: A DFT study
- Enhancing Structural Stability and Lithium Mobility in Spinel Cathodes via Prelithiated Core–Shell Engineering