Tianwei He | Chemistry and Materials Science | Best Researcher Award

Prof Dr. Tianwei He | Chemistry and Materials Science | Best Researcher Award 

Yunnan University | China

Dr. Tianwei He is an internationally recognized materials scientist and computational chemist whose research advances the rational discovery and design of next-generation electrocatalysts for sustainable energy and chemical transformations. He is currently an Associate Professor at the School of Materials and Energy, Yunnan University, China, where he leads cutting-edge research at the intersection of density functional theory (DFT), nanocatalysis, and machine learning. His academic training and professional trajectory span leading institutions in China, Australia, Germany, and Macau, reflecting a strong global research footprint. Dr. He obtained his PhD in Computational Materials Science from Queensland University of Technology (QUT), Australia, following earlier degrees in Materials Science and Engineering. He subsequently held postdoctoral and assistant researcher positions at the Fritz Haber Institute of the Max Planck Society (Germany), University of Macau, and Queensland University of Technology, working under renowned scholars including Prof. Karsten Reuter, Prof. Hui Pan, and Prof. Aijun Du. These experiences shaped his expertise in theoretical catalysis, surface science, and reaction mechanism modeling. His research focuses on the computational discovery of novel nanocatalysts for key electrochemical and photocatalytic reactions within the C, N, O, and H cycles, including HER, OER, ORR, nitrogen reduction, CO/CO₂ reduction, and selective hydrogenation. By constructing structure- and composition-sensitive models using DFT, NEB, and molecular dynamics, Dr. He provides atomic-level insights into active sites, scaling relationships, and reaction pathways. In recent years, he has integrated machine learning approaches to accelerate catalyst screening and performance prediction. Dr. He has authored and co-authored an extensive body of high-impact publications in premier journals such as Journal of the American Chemical Society, PNAS, Chem, Advanced Materials, Advanced Energy Materials, Chemical Society Reviews, ACS Catalysis, and Small. With an h-index of 38, over 4,900 citations, and multiple ESI Highly Cited and Hot Papers, his work is widely recognized for its originality and influence in the catalysis community. His studies on single-atom catalysts, heteronuclear dual-atom systems, high-entropy catalysts, and low-dimensional heterostructures have significantly advanced understanding of catalytic stability, selectivity, and efficiency. In addition to research, Dr. He actively contributes to the scientific community as an invited reviewer for leading journals and as a member of early-career editorial boards for Materials Today Energy, Battery Energy, and Journal of Electrochemistry. Through sustained excellence in research, mentorship, and international collaboration, Dr. Tianwei He continues to play a pivotal role in shaping the future of computational catalysis and sustainable energy materials.

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Featured Publications

Doudou Zhang | Materials Science | Best Researcher Award

Dr. Doudou Zhang | Materials Science | Best Researcher Award 

Macquarie University | Australia

Dr. Doudou Zhang is a distinguished Macquarie University Research Fellow (Vice-Chancellor Fellow) and lecturer in the School of Engineering, renowned for her pioneering contributions to functional materials and photoelectrochemical (PEC) energy systems. Her research focuses on the development of advanced materials and device architectures for solar-to-hydrogen conversion, CO₂ reduction, and sustainable ammonia synthesis, integrating materials design, device engineering, and artificial intelligence (AI)-driven approaches to accelerate innovation in renewable energy technologies. Dr. Zhang received her Ph.D. in Chemistry from Shaanxi Normal University, followed by a prestigious postdoctoral research fellowship at the Australian National University (ANU) from 2019 to 2024, where she specialized in photo(electro)catalysis for sustainable hydrogen production. At Macquarie University, she leads several cutting-edge research projects as both sole and co-chief investigator, including the ARENA project (KC012) on accelerating the commercialization of direct solar-to-hydrogen technology (A$2.25M; A$163K at MQ), an ARC Discovery Project (DP250104928) on zero-gap photoelectrochemical ammonia synthesis (A$580K), and the Macquarie University Research Fellowship project on the direct synthesis of earth-abundant bifunctional catalysts (A$848K). Her research portfolio demonstrates a remarkable ability to attract competitive national and industry funding, exceeding A$10 million in cumulative project value through collaborations with industry leaders such as Fortescue Future Industries (FFI). Her earlier work as a main investigator contributed to multiple high-impact projects, including ARENA and FFI-funded initiatives focused on developing low-cost perovskite/silicon semiconductors and macroelectrode electrolysis systems, each driving substantial advances in low-cost green hydrogen production. Beyond academic research, Dr. Zhang has actively engaged with industry, leading consultancy projects like the AEA Ignite initiative (A$489K) for developing durable roll-to-roll functional coatings for next-generation energy devices. Dr. Zhang has achieved an H-index of 21 and over 1,970 citations (Google Scholar, October 2025), reflecting the global influence of her research in energy materials. She has authored 38 peer-reviewed journal papers, 1 book chapter, and 12 granted patents (including one patent that attracted A$833K industrial funding). Her publications are consistently featured in top-tier journals such as Energy & Environmental Science, Advanced Energy Materials, Applied Physics Reviews, Chemical Engineering Journal, Materials Today Energy, Angewandte Chemie International Edition, and Progress in Materials Science. Notably, over 31% of her works rank within the top 10% citation percentiles, and 76% are among the top 25% most cited papers globally. Her contributions also extend to scholarly authorship and thought leadership, including an invited chapter titled “Advances in Perovskite-Based Photocatalysts: Materials Design, Mechanisms, and Applications” in Semiconductors and Semimetals (Elsevier, 2025). Dr. Zhang’s recent works demonstrate the integration of AI and machine learning in catalyst discovery, as seen in her publication “Prospects of AI in Advancing Green Hydrogen Production”.

Profiles: Scopus | Orcid | Google Scholar

Featured Publications

Zhang, D., & Co-authors. (2025, September 25). Minimizing buried interface energy losses via urea phosphate derivatives enable high-efficiency carbon-based mesoscopic perovskite solar cells. Small. https://doi.org/10.1002/smll.202507384

Zhang, D., Pan, W., Lu, H., Wang, Z., Gupta, B., Oo, A. T., Wang, L., Reuter, K., Li, H., Jiang, Y., & Karuturi, S. (2025, September 1). Prospects of AI in advancing green hydrogen production: From materials to applications. Applied Physics Reviews, 12(3), 031335. https://doi.org/10.1063/5.0281416

Attar, F., Riaz, A., Zhang, D., Lu, H., Thomsen, L., & Karuturi, S. (2025, August 15). Advanced NiMoC electrocatalysts precisely synthesized at room temperature for efficient hydrogen evolution across pH ranges. Chemical Engineering Journal, 518, 164494. https://doi.org/10.1016/j.cej.2025.164494

Zhang, D., Pan, W. S., Sharma, A., Shen, H., Lem, O., Saraswathyvilasam, A., Yang, C., Weber, K., Wu, Y., Catchpole, K., Oo, A. T., & Karuturi, S. (2025, March). Over 14% unassisted water splitting driven by immersed perovskite/Si tandem photoanode with Ni-based catalysts. Materials Today Energy, 48, 101809. https://doi.org/10.1016/j.mtener.2025.101809

Wang, P., Oo, A. T., Chen, L., & Zhang, D. (2025). Recent advances of interfacial modification over tantalum nitride photoanodes for solar water oxidation: A mini review. Frontiers in Chemistry, 13, 1600959. https://doi.org/10.3389/fchem.2025.1600959

Zhang, D., Pan, W., Jiang, Y., & Co-authors. (2024, December 28). Defect management and crystallization regulation for high-efficiency carbon-based printable mesoscopic perovskite solar cells via a single organic small molecule. Journal of Materials Chemistry A. https://doi.org/10.1039/d4ta06877g

Ding, J., Zhang, D., Riaz, A., Gu, H., Soo, J. Z., Narangari, P. R., Jagadish, C., Tan, H. H., & Karuturi, S. (2024, November). Scalable amorphous NiFe(OH)x/Fe/graphene bifunctional electrocatalyst via solution-corrosion for water splitting. CCS Chemistry, 6, 2692–2703. https://doi.org/10.31635/ccschem.024.202404423

Zhang, D., & Co-authors. (2024, July 5). Solar-driven ammonia synthesis with Co–TiOx and Ag nanowires enhanced Cu₂ZnSnS₄ photocathodes. Applied Catalysis B: Environmental, 348, 123836. https://doi.org/10.1016/j.apcatb.2024.123836