Miss Sana Zafar
Higher Degree by Research Candidate
School of Chemical Engineering
College of Engineering and Information Technology
I am a PhD candidate in Chemical Engineering at the University of Adelaide, within the College of Engineering and Information Technology, with a background in physics.
My research focuses on investigating the solubility limits of gold, silver, bismuth, and tellurium in phases of the bornite–digenite solid solution. This work employs advanced computational approaches, particularly machine learning potentials integrated with atomistic simulations, to understand the mechanisms governing the incorporation and distribution of these critical and precious elements at the atomic scale.
| Date | Position | Institution name |
|---|---|---|
| 2025 - 2026 | Lecturer | National University of Modern Languages |
| Year | Citation |
|---|---|
| 2025 | Zaman, M., Zafar, S., Zeba, I., & Gillani, S. S. A. (2025). DFT assessment of KBeO3-xHx perovskites: Revealing ion substitution mechanisms for enhanced solid hydrogen storage. International Journal of Hydrogen Energy, 138, 307-319. Scopus7 WoS7 |
| 2025 | Zaman, M., Rehman, M. A., Zeba, I., Zafar, S., & Gillani, S. S. A. (2025). Optimised structural, electronic, optical and mechanical properties of SrTiO<sub>3-x</sub>H<sub>x</sub> for photovoltaic applications: a DFT insight. MOLECULAR PHYSICS, 123(11), 16 pages. WoS18 |
| 2025 | Gillani, S. S. A., Zeba, I., Zaman, M., Zafar, S., & Ali, M. A. (2025). A DFT based theoretical exploration of hydrogen doped LiZnO3 perovskite for hydrogen storage applications. Journal of Physics and Chemistry of Solids, 199, 13 pages. Scopus7 WoS6 |
| 2025 | Zafar, S., Fatima, R., Gillani, S. S. A., Zaman, M., Ahmad, B., & Akhtar, D. (2025). Novel MgBH<sub>3</sub> (B = Al, Si, P, S) perovskites Predicted via DFT for high-performance solid hydrogen systems. MATERIALS TODAY PHYSICS, 57, 14 pages. WoS6 |
| 2024 | Zafar, S., Zeba, I., & Gillani, S. S. A. (2024). Probing ion substitution in NaAlO3-xHx perovskites for advanced hydrogen storage systems: A prediction through DFT. International Journal of Hydrogen Energy, 94, 285-299. Scopus11 WoS10 |
| 2024 | Zafar, S., Zeba, I., Zaman, M., Shakil, M., & Gillani, S. S. A. (2024). First principles computation of novel hydrogen-doped CsSrO<sub>3</sub> with excellent optoelectronic properties as a potential photocatalyst for water splitting. PHYSICA SCRIPTA, 99(7), 17 pages. WoS21 |
| 2024 | Ahmad, B., Siddique, S., Zeba, I., Zafar, S., Shakil, M., & Gillani, S. S. A. (2024). Semiconductor-metal transition in TlPbF<sub>3</sub> under isotropic pressure and its impact on optical, elastic and mechanical properties: a DFT computation with HSE06. PHYSICA SCRIPTA, 99(10), 16 pages. WoS2 |