Catalysts for hydrogen-free ammonia production by electrochemical method. This project aims to realise the next generation of ammonia production under ambient conditions without hydrogen feedstock. Through a combination of theoretical molecular-level understanding and experimental materials engineering, a range of catalysts will be developed under a materials discovery scheme for electrochemical nitrogen reduction to ammonia. These new catalysts, featuring high activity, efficiency, selectivity, ....Catalysts for hydrogen-free ammonia production by electrochemical method. This project aims to realise the next generation of ammonia production under ambient conditions without hydrogen feedstock. Through a combination of theoretical molecular-level understanding and experimental materials engineering, a range of catalysts will be developed under a materials discovery scheme for electrochemical nitrogen reduction to ammonia. These new catalysts, featuring high activity, efficiency, selectivity, and stability, will facilitate an alternative artificial nitrogen fixation technology powered by renewable energies. This technology will enable the production of green fertilisers and provide renewable energy storage, which are key environmental and energy challenges that Australia and the world currently face.Read moreRead less
Develop Catalyst Materials for Future Fuels by Operando Computation. This project aims to design catalyst materials for the production of future fuels (green ammonia, hydrocarbon and alcohol). Using carbon and nitrogen as energy carriers, these fuels are generated from renewable sources such as wind or solar; they are safe, reliable, and possess high energy density. The outcomes include advance in computational electrochemistry to the Opeando level, electrocatalysts design principles with clearl ....Develop Catalyst Materials for Future Fuels by Operando Computation. This project aims to design catalyst materials for the production of future fuels (green ammonia, hydrocarbon and alcohol). Using carbon and nitrogen as energy carriers, these fuels are generated from renewable sources such as wind or solar; they are safe, reliable, and possess high energy density. The outcomes include advance in computational electrochemistry to the Opeando level, electrocatalysts design principles with clearly articulated reaction mechanisms, and candidate materials for experimental validation. Facilitated by advanced computation techniques and reliable catalyst materials design procedure, this project will address the biggest challenge in future fuel generation, which is the lack of efficient catalyst materials. Read moreRead less
Discovery Early Career Researcher Award - Grant ID: DE220100163
Funder
Australian Research Council
Funding Amount
$411,000.00
Summary
Harnessing dynamic materials to produce better heterogeneous catalysts. This project aims to investigate an emerging class of catalysts featuring dynamic reaction sites using innovative computational chemistry methods. The capability of traditional materials has reached a performance status quo for many catalytic reactions. Dynamic materials may unlock a new dimension in catalyst design; however, their influence on reactivity is unclear, and the combination of materials and dynamics represents a ....Harnessing dynamic materials to produce better heterogeneous catalysts. This project aims to investigate an emerging class of catalysts featuring dynamic reaction sites using innovative computational chemistry methods. The capability of traditional materials has reached a performance status quo for many catalytic reactions. Dynamic materials may unlock a new dimension in catalyst design; however, their influence on reactivity is unclear, and the combination of materials and dynamics represents an immense parameter space. This project expects to provide a comprehensive framework for understanding dynamic catalytic processes. Expected outcomes of this project include the identification of specific materials and dynamics that achieve extraordinary efficiency for the benefit of sustainable chemical production.Read moreRead less
Aggregation control for high-performance polymer electronics. This project aims to exploit the behaviour of semiconducting polymer chains in solution to realise high-performance polymer electronics. This project will be achieved through a combination of simulation, theory, and X-ray measurements of solution-phase chain conformation and device studies. The project expects to create new predictive understanding of how the self organisation of semiconducting polymer chains determines thin-film micr ....Aggregation control for high-performance polymer electronics. This project aims to exploit the behaviour of semiconducting polymer chains in solution to realise high-performance polymer electronics. This project will be achieved through a combination of simulation, theory, and X-ray measurements of solution-phase chain conformation and device studies. The project expects to create new predictive understanding of how the self organisation of semiconducting polymer chains determines thin-film microstructure and thus charge transport in thin-film devices. Expected outcomes include new materials and processes for high-performance polymer transistors and enhanced interdisciplinary research partnerships. This approach should hasten the development of new technologies based on lightweight flexible electronic devices.Read moreRead less
Open framework organic materials for CO2 capture and conversion. The reduction of CO2 emissions from coal-fired power plants is a technological challenge of global significance. This project will address this challenge by developing a unique system, based upon open framework materials, that will selectively capture CO2 from gas streams and then catalyse its transformation into industrially useful chemicals.