Bio
I completed my PhD in the School of Materials Science & Engineering at UNSW Sydney with a specialization in Density Functional Theory (DFT). In November 2020, I joined the School of Physics at UNSW Sydney as a postdoctoral research associate. My research expertise encompasses various computational techniques applied to a wide range of materials. I have conducted research on topics such as topological materials, silicon-based quantum systems, two-dimensional materials, cerium dioxide, and catalysis. I am currently working as a postdoctoral research associate at USyd.
Research Interests
DFT simulations of interfacial reactions between catalysts and small molecules for the development of renewable energy.
DFT simulations employing Wannier function to predict the electronic properties of topological materials.
Selected Publications
- Aliyar, T., Ma, H., Krishnan, R., Singh, G., Chong, B. Q., Wang, Y., Verzhbitskiy, I., Yu Wong, C. P., Johnson Goh, K. E., Shen, Z. X., Koh, T. S., Rahman, R. & Weber, B. Symmetry Breaking and Spin–Orbit Coupling for Individual Vacancy-Induced In-Gap States in MoS2 Monolayers. Nano Lett. 24, 2142–2148 (2024).
- Liu, Z., Ma, H., Sorrell, C. C., Koshy, P., Wang, B. & Hart, J. N. Enhancement of Light Absorption and Oxygen Vacancy Formation in CeO2 by Transition Metal Doping: A DFT Study. Appl. Catal., A 670, 119544 (2024).
- Jiang, Y., Zhou, S., Mofarah, S. S., Niu, R., Sun, Y., Rawal, A., Ma, H., Xue, K., Fang, X., Toe, C. Y., Chen, W.-F., Chen, Y.-S., Cairney, J. M., Rahman, R., Chen, Z., Koshy, P., Wang, D. & Sorrell, C. C. Efficient and Stable Piezo-Photocatalytic Splitting of Water and Seawater by Interfacial Engineering of Na0.5Bi0.5TiO3/Na0.5Bi4.5Ti4O15 Self-Generated Heterojunctions. Nano Energy 116, 108830 (2023).
- Ren, H., Kovalev, M., Weng, Z., Muhamad, M. Z., Ma, H., Sheng, Y., Sun, L., Wang, J., Rihm, S., Yang, W., Lapkin, A. A. & Ager, J. W. Operando Proton-Transfer-Reaction Time-of-Flight Mass Spectrometry of Carbon Dioxide Reduction Electrocatalysis. Nat. Catal. 5, 1169–1179 (2022).
- Ma, H., Hsueh, Y.-L., Monir, S., Jiang, Y. & Rahman, R. Ab-Initio Calculations of Shallow Dopant Qubits in Silicon from Pseudopotential and All-Electron Mixed Approach. Communications Physics 5, 165 (2022).
- Ma, H., Liu, Z., Koshy, P., Sorrell, C. C. & Hart, J. N. Density Functional Theory Investigation of the Biocatalytic Mechanisms of pH-Driven Biomimetic Behavior in CeO2. ACS Appl. Mater. Interfaces 14, 11937–11949 (2022).
- Ma, H., Ren, H., Koshy, P., Sorrell, C. C. & Hart, J. N. Enhancement of CeO2 Silanization by Spontaneous Breakage of Si–O Bonds through Facet Engineering. J. Phys. Chem. C 124, 2644–2655 (2020).
- Ren, H., Dittrich, T., Ma, H., Hart, J. N., Fengler, S., Chen, S., Li, Y., Wang, Y., Cao, F., Schieda, M., Ng, Y. H., Xie, Z., Bo, X., Koshy, P., Sheppard, L. R., Zhao, C. & Sorrell, C. C. Manipulation of Charge Transport by Metallic V13O16 Decorated on Bismuth Vanadate Photoelectrochemical Catalyst. Adv. Mater. 31, 1807204 (2019).
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