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Next generation core-shell materials based on biomolecular dual-templating. This project aims to discover and develop new methods and knowledge for the precision engineering of next-generation core-shell materials using sustainable biomolecular dual-templating processes. This research builds on a recent breakthrough - emulsion and biomimetic dual-templating technology for facile preparation of silica capsules, and is expected to revolutionise current approaches for making core-shell materials. S ....Next generation core-shell materials based on biomolecular dual-templating. This project aims to discover and develop new methods and knowledge for the precision engineering of next-generation core-shell materials using sustainable biomolecular dual-templating processes. This research builds on a recent breakthrough - emulsion and biomimetic dual-templating technology for facile preparation of silica capsules, and is expected to revolutionise current approaches for making core-shell materials. Significant outcomes are expected to be achieved through building fundamental understanding around this breakthrough, including new concepts for hierarchical nanomaterials based on biomolecular design, new molecular and engineering design rules for core-shell materials, and novel materials for applications in sustained release and delivery systems.Read moreRead less
Enhanced force fields for computational drug design and materials research. This project aims to improve the atomic interaction functions used to calculate the structural, dynamic and thermodynamic properties of molecules that alter net charge or structure in different environments. Predicting the stability of alternative protonation and tautomeric states for molecules bound to therapeutic targets is a major challenge in computational drug design. It is key to identifying the therapeutically act ....Enhanced force fields for computational drug design and materials research. This project aims to improve the atomic interaction functions used to calculate the structural, dynamic and thermodynamic properties of molecules that alter net charge or structure in different environments. Predicting the stability of alternative protonation and tautomeric states for molecules bound to therapeutic targets is a major challenge in computational drug design. It is key to identifying the therapeutically active chemical species as well as understanding drug transport and off-target effects. The work will expand the utility of modelling software used by over 13,000 researchers worldwide. In addition, the improved interaction functions will also help in the understanding of a wide range of other materials at an atomic level.Read moreRead less
Rational materials design: gas adsorption in porous crystals. This project aims to develop new, general theoretical methods to accurately describe gas adsorption in porous crystals. These will be combined with novel quantum formalisms, allowing the accurate calculation of thermochemical properties of adsorbed gases. The anticipated goals of this project are the design of new materials with enhanced gas storage and separation capabilities, with an emphasis on carbon dioxide, methane and hydrogen ....Rational materials design: gas adsorption in porous crystals. This project aims to develop new, general theoretical methods to accurately describe gas adsorption in porous crystals. These will be combined with novel quantum formalisms, allowing the accurate calculation of thermochemical properties of adsorbed gases. The anticipated goals of this project are the design of new materials with enhanced gas storage and separation capabilities, with an emphasis on carbon dioxide, methane and hydrogen adsorption. The benefits of this project are in the application of these materials to pressing energy and environmental concerns.Read moreRead less
Improving the Durability and Performance of Hollow Fibre Membranes with Nanocomposite and Inorganic/organic Hybrid Materials. Water is a critical resource for societies worldwide and Australia is one of the driest nations on Earth. Options to treat ‘used’ or lower quality waters for reuse are becoming a necessity. This project aims to implement advanced nanotechnology solutions to improve performance characteristics of widely adopted water treatment membranes, which have the potential to reduce ....Improving the Durability and Performance of Hollow Fibre Membranes with Nanocomposite and Inorganic/organic Hybrid Materials. Water is a critical resource for societies worldwide and Australia is one of the driest nations on Earth. Options to treat ‘used’ or lower quality waters for reuse are becoming a necessity. This project aims to implement advanced nanotechnology solutions to improve performance characteristics of widely adopted water treatment membranes, which have the potential to reduce water treatment costs in Australia. This is made possible by the collaboration with Australia's largest manufacturer of water treatment membranes. The outcomes will lead towards a lower maintenance water treatment technology available to communities, at lower cost. The application of such a technology will span from local small scale to major installations worldwide.Read moreRead less
Electronic coupling and nanoscale engineering of two-dimensional nanojunctions. This project aims to improve the design of photovoltaic, energy storage, and nanocatalytic devices by using quantum-size tuning, orientation control, strain engineering, and surface modification to manipulate the electronic coupling and charge transfer of two-dimensional nanojunctions. The limitations of and potential environmental damage from fossil-fuel-based energy resources have increased interest in renewable en ....Electronic coupling and nanoscale engineering of two-dimensional nanojunctions. This project aims to improve the design of photovoltaic, energy storage, and nanocatalytic devices by using quantum-size tuning, orientation control, strain engineering, and surface modification to manipulate the electronic coupling and charge transfer of two-dimensional nanojunctions. The limitations of and potential environmental damage from fossil-fuel-based energy resources have increased interest in renewable energy research. The expected outcomes are electron-scale understanding of the tuneable functionalisation of two-dimensional nanojunctions and the design of low-cost and high-efficiency renewable energy devices.Read moreRead less
Shifting the trend in radical battery research . The project aims to address a growing problem of increasing energy consumption by storing intermittent energy from the sun in affordable and efficient flow batteries. The project expects to generate new knowledge in the areas of materials science and battery research by using innovative theoretical chemistry approaches to studying electrochemical properties of nitroxide radicals in ionic media. The project aims to develop radical organic flow batt ....Shifting the trend in radical battery research . The project aims to address a growing problem of increasing energy consumption by storing intermittent energy from the sun in affordable and efficient flow batteries. The project expects to generate new knowledge in the areas of materials science and battery research by using innovative theoretical chemistry approaches to studying electrochemical properties of nitroxide radicals in ionic media. The project aims to develop radical organic flow batteries by utilising ionic liquids to stabilise radicals. Intended outcomes of the project include improved efficiency of flow batteries that can store energy from widely used solar panels. This should provide significant benefits to Australia’s effort to switch to renewable energy technologies. Read moreRead less
Theory and synthesis of self-assembled polyfunctional supramolecular fibres and associated soft materials. Liquid crystals (LCs) and molecular fibres are essential structural and functional components of living systems. A new class of hybrid materials, combining LC and fibrous aspects, will be developed, based on self-assembly of 'linactants', invented by the CI and colleagues.
Interfacial design for high performance carbon fibre polymer composites. This project aims to develop customisable surfaces on carbon fibres to complement any intended resin for composite materials. Poor fibre-to-matrix adhesion is currently a known weakness of carbon fibre composites, hindering the large scale translation of these materials into mass transport solutions The outcomes of this project will be the development of superior composites and the fundamental knowledge of what interfacial ....Interfacial design for high performance carbon fibre polymer composites. This project aims to develop customisable surfaces on carbon fibres to complement any intended resin for composite materials. Poor fibre-to-matrix adhesion is currently a known weakness of carbon fibre composites, hindering the large scale translation of these materials into mass transport solutions The outcomes of this project will be the development of superior composites and the fundamental knowledge of what interfacial molecular interactions are required to obtain composites able to tolerate high shear forces.Read moreRead less
A design-led approach for multifunctional composites . This project aims to remove some of the limitations of carbon fibre composites by introducing novel functionality into the underlying carbon fibre. The project expects to modify carbon fibres, predict their functionality and develop new high-performance resins. The expected outcomes include enabling carbon composite materials to have high strength-to-weight ratio, durability, toughness, minimal maintenance, without compromising processabilit ....A design-led approach for multifunctional composites . This project aims to remove some of the limitations of carbon fibre composites by introducing novel functionality into the underlying carbon fibre. The project expects to modify carbon fibres, predict their functionality and develop new high-performance resins. The expected outcomes include enabling carbon composite materials to have high strength-to-weight ratio, durability, toughness, minimal maintenance, without compromising processability and the ability to manufacture at high volumes. The benefits should include a significant boost to Australia’s ability to lead economically important manufacturing innovations across a range of sectors including defence, energy and construction. Read moreRead less
Discovery Early Career Researcher Award - Grant ID: DE190100876
Funder
Australian Research Council
Funding Amount
$390,000.00
Summary
Unifying chemical concepts for advanced molecular electronics applications. This project aims to build a physical-organic chemistry framework of transferable molecular descriptors for a relatively new but a rapidly developing area of unimolecular electronics (UE) using advanced computational chemistry tools. Established structure-property relationships will drive the cutting-edge applications of UE in sensing and catalysis and significantly expand our understanding of charge transport involving ....Unifying chemical concepts for advanced molecular electronics applications. This project aims to build a physical-organic chemistry framework of transferable molecular descriptors for a relatively new but a rapidly developing area of unimolecular electronics (UE) using advanced computational chemistry tools. Established structure-property relationships will drive the cutting-edge applications of UE in sensing and catalysis and significantly expand our understanding of charge transport involving free radicals and non-covalent assemblies. Expected outcomes of this project include new design guidelines and candidate molecular architectures for such practical applications as organocatalysis inside molecular junctions, molecular spintronics and molecular sensors for reactive oxygen species and nitroaromatic pollutants.Read moreRead less