Discovery Early Career Researcher Award - Grant ID: DE220101147
Funder
Australian Research Council
Funding Amount
$407,600.00
Summary
First-principles design of atomic defects for quantum technologies. This project aims to address the issue of designing and engineering better single-photon sources based on atomic defects in solids, a crucial building block for many quantum technologies. Using advanced first-principles quantum mechanical theories and calculations, the project expects to produce fundamental knowledge of key mechanisms and properties, and to use this to inform the design of new atomic defects for tailored applica ....First-principles design of atomic defects for quantum technologies. This project aims to address the issue of designing and engineering better single-photon sources based on atomic defects in solids, a crucial building block for many quantum technologies. Using advanced first-principles quantum mechanical theories and calculations, the project expects to produce fundamental knowledge of key mechanisms and properties, and to use this to inform the design of new atomic defects for tailored applications as quantum emitters. The expected outcomes, including novel methodologies, will contribute to different research areas, from condensed matter and materials physics to quantum science and technology. This project should provide significant benefits in accelerating quantum technology innovation in Australia.Read moreRead less
Discovery Early Career Researcher Award - Grant ID: DE190100144
Funder
Australian Research Council
Funding Amount
$411,000.00
Summary
Rational design of light-emitting materials for lighting and displays. This project aims to solve the most pressing problem in organic light emitting diodes - the lack of highly efficient, phosphorescent blue emitters. The project expects to generate new understanding of energy loss mechanisms in such devices from multiscale quantum mechanical models, which describe the interaction of the emitter with its environment, and to design new materials via big data approaches. Expected outcomes include ....Rational design of light-emitting materials for lighting and displays. This project aims to solve the most pressing problem in organic light emitting diodes - the lack of highly efficient, phosphorescent blue emitters. The project expects to generate new understanding of energy loss mechanisms in such devices from multiscale quantum mechanical models, which describe the interaction of the emitter with its environment, and to design new materials via big data approaches. Expected outcomes include a fundamental understanding of non-radiative decay processes in organometallic complexes and more efficient lighting and display technologies. This project should provide significant benefits in reducing energy use, as lighting and displays consume around a quarter of the energy generated in developed countries.Read moreRead less
Charge and energy transport in disordered functional materials. This project aims to understand how energy and electric charge move through disordered materials. Many next-generation materials—including organic semiconductors, hybrid perovskites, and conductive metal-organic frameworks—promise better solar cells, sensors, and electrocatalysts; however, they remain incompletely understood because they are disordered and noisy systems that are difficult to describe mathematically. This project exp ....Charge and energy transport in disordered functional materials. This project aims to understand how energy and electric charge move through disordered materials. Many next-generation materials—including organic semiconductors, hybrid perovskites, and conductive metal-organic frameworks—promise better solar cells, sensors, and electrocatalysts; however, they remain incompletely understood because they are disordered and noisy systems that are difficult to describe mathematically. This project expects to develop the first theoretical techniques that capture all essential features of transport in disordered materials. The resulting understanding of structure-function relationships should accelerate the rational design of cutting-edge devices for energy conversion and storage.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
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
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
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
ARC Centre of Excellence in Exciton Science. This Centre aims to manipulate the way light energy is absorbed, transported and transformed in advanced molecular materials. The research programme spans high-throughput computational screening, single molecule photochemistry and ultrafast spectroscopy and embraces innovative outreach and commercial translation activities. The Centre plans to capture the knowledge generated as new intellectual property, materials processing know-how, and through the ....ARC Centre of Excellence in Exciton Science. This Centre aims to manipulate the way light energy is absorbed, transported and transformed in advanced molecular materials. The research programme spans high-throughput computational screening, single molecule photochemistry and ultrafast spectroscopy and embraces innovative outreach and commercial translation activities. The Centre plans to capture the knowledge generated as new intellectual property, materials processing know-how, and through the creation of new employment opportunities. The expected outcomes and benefits include new Australian technologies in solar energy conversion, energy-efficient lighting and displays, security labelling and optical sensor platforms for defence.Read moreRead less