Professor Zheng specializes in catalysis and materials chemistry, pioneering the seamless integration of experimental and theoretical approaches to advance catalyst design for energy conversion applications. His research has significantly shaped fundamental studies in electrocatalysis and battery technologies. His transformative contributions to fuel cells, hydrogen production, and CO₂ conversion are reflected in his strong international profile, extensive publication record, and successful research translation. Over the past 15 years, he has also led the development of two key principles in catalysis: electrocatalytic refineries and the local reaction environment theory. These original concepts have been validated as universal principles in energy-related electro- and photo-catalytic processes.

Professor Zheng has also been at the forefront of computation-guided material and catalyst design, integrating chemical reaction thermodynamics, kinetics, and materials chemistry. His research bridges materials engineering, physical chemistry, electrochemistry, and quantum chemistry, enabling the development of novel electrocatalysts for key reactions, including oxygen and hydrogen evolution, CO₂ reduction, and electrocatalytic refinery processes. By combining in situ/ex situ spectroscopic characterization with density functional theory calculations, he has made significant breakthroughs in understanding reaction mechanisms and designing high-performance catalysts.

One of Professor Zheng’s most notable achievements is the direct production of ultrapure hydrogen from raw, untreated seawater via electrolysis—eliminating the need for rare, highly purified deionized water. This groundbreaking technology, protected by three patents, is scalable to pilot plants and holds immense potential for driving greener industries while alleviating pressure on freshwater resources in Australia. In 2023, drawing on over a decade of research in hydrogen electrocatalysis, he developed a robust strategy for direct seawater electrolysis by leveraging localized reaction environment control on catalyst surfaces. This breakthrough removes a major barrier to hydrogen production, making it particularly beneficial for Australia, where abundant sunlight and seawater create ideal conditions for sustainable hydrogen generation.

Professor Zheng has published 200 refereed journal articles – 32 are first- and 90 are corresponding-authored. As lead author (first and corresponding), he published Nature Energy (3), Nature Chem., Nature Chem. Eng., Sci. Adv. (4), Nature Commun. (6), J. Am. Chem. Soc. (15), Angew. Chem. Int. Ed. (10), Adv. Mater. (5), Chem. Rev., Chem. Soc. Rev. (3) etc. His overall publications have attracted >53,000 citations with an h-index of 93 (Web of Science, as of 25 Nov 2024). He was awarded as Clarivate Analytics Highly Cited Researchers in Chemistry for 2019–2024.