Leader: Dr. Refilwe Mapasha
Current Students
- Dr Fortunate Elegbeleye (Postdoctoral Fellow)
- Dr Mwende Mbilo (Postdoctoral Fellow)
- Owen Alfreds (PhD)
- Craig Bekeur (PhD)
- Fwalo Chewe (PhD)
- Onke Gqiba (PhD)
- Beauty Masolo (PhD)
- Cabel Thaba (PhD)
Jan Mafifi (MSc)
David Mahapane (MSc)
Recent Group Members
- Felana Andriambelaza (Postdoctoral Fellow, PhD 2020)
- Hezekia Mapingire (PhD 2025)
- Onke Qgiba (MSc 2024)
- Phodiso Kgalema (MSc 2023)
Craig Bekeur (MSc 2023)
Research interests
- Computer Prediction of Novel 2D Materials for Clean Energy Storage: Metal-Ion and Metal-Air Batteries
- Defect Engineering in Novel 2D Materials to Enhance Electrochemical Performance in batteries.
- Development of Computational Density Energy functionals and Machine Learning algorithms prection of various properties of Novel 2D Materials
- Employ 0K Density Functional Theory and Finite Temperature ab initio Molecular Dynamics
Active Collaborations
Internal:
1. Prof Mantsae Diale
2. Prof Walter Meyer
National:
1. Prof Erick Maluta (Univen), Prof Reginah Maphanga (Mintek). Funder: NIThecs
2. Dr Emmanuel Igumbor (UJ),
3. Dr Maje Phasha and Dr Donald Mkhotho (Mintek)
Africa:
1. Prof Robinson Musembi (University of Nairobi, Kenya), Prof Julius Mwabora (University of Nairobi, Kenya), Dr Winfred Mulwa (Egerton University, Kenya) Funder: PASET (RSI)
2. Dr Stanley Mwanga (University of Dodoma, Tanzania). Funder: None
International:
1. Dr Aleksey Kochaev, Ulyanovsk State University: Ulyanovsk, Russia.
2. Prof Tanveer Hussein, University of New England, Australia,
3. Dr Nicholas Salles, Consiglio Nazionale delle Ricerche (CNR), SISSA, Italy, Funder: Material Irradiation: from basic to applications (MAMBA) Project.
Research Projects
- Defective Metal Dichalcognide/Graphene Heterostructures for Metal Ions Batteries: Computational insights
- Antisymetric Metal Dichalcognide Janus 2D material for Metal Ions Batteries : Computational insights
- Light Element Doped Graphene for metal air batteries: Computational insights
- Borophene, Silicene, Phosphorene, Mxene, Anti-Mexene for metal air Batteries: Computational insignts