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Discovery and design of novel catalysts from computational chemistry

The discovery and design of novel materials as efficient catalysts are critical for the development of innovative clean energy and environmental technology. For example, hydrogen production involves hydrogen evolution and oxygen evolution reactions - oxygen reduction/evolution reactions are important in fuel cell and air battery technology, carbon dioxide reduction is related to the mitigation of carbon emission, and nitrogen fixation is linked to the fertiliser production process.In principle, the catalytic properties of a material are completely determined by its electronic …

Study level
PhD, Master of Philosophy, Honours, Vacation research experience scheme
Faculty
Science and Engineering Faculty
School
School of Chemistry and Physics
Research centre(s)
Centre for Materials Science
Centre for Clean Energy Technologies and Practices

Super metal organic framework-mineral composite material for hydrogen energy storage

Metal-organic frameworks (MOFs) are an emerging class of crystalline materials that hold huge promise for significant applications such as adsorption, separation, catalysis and drug delivery. Attributed to their exceptional porosity and surface area, the adsorptive performance of MOF materials has high potential for solving challenging issues such as hydrogen storage, greenhouse gas capture and water vapour harvest in arid regions.However, the practical application of many MOF materials encounters challenges from poor chemical stabilities, low yields and expensive manufacturing costs. With …

Study level
PhD, Master of Philosophy
Faculty
Science and Engineering Faculty
School
School of Earth and Atmospheric Sciences
Research centre(s)

Centre for Clean Energy Technologies and Practices

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