Computational approaches to selection and design of ionic materials. Advanced batteries, fuel cells and solar cell technologies are beginning to use ionic liquids/plastic crystals as electrolytes due to their superb stability and valuable properties. As a broad class these ionic materials have only been known for the last 10 years or so and there is much to learn about their structure and properties. The project will develop and advance quantum chemical techniques for selection and design of ion ....Computational approaches to selection and design of ionic materials. Advanced batteries, fuel cells and solar cell technologies are beginning to use ionic liquids/plastic crystals as electrolytes due to their superb stability and valuable properties. As a broad class these ionic materials have only been known for the last 10 years or so and there is much to learn about their structure and properties. The project will develop and advance quantum chemical techniques for selection and design of ionic materials with the goal of developing electrolytes for a range of applications from advanced metal batteries, solar cells to fuel cells. These applications will have impact on energy efficiency and energy conservation by enabling CO2 replacing technologies. Read moreRead less
Fully ab initio, large-scale calculations of thermodynamic and transport properties of ionic materials. Advanced batteries, fuel cells, and photonic device technologies are beginning to use ionic materials as electrolytes due to their superb stability and technologically valuable properties. As a broad class these materials have only been known for just over a decade and there is still more unknown than known about their structure and properties. The project will develop new advanced computation ....Fully ab initio, large-scale calculations of thermodynamic and transport properties of ionic materials. Advanced batteries, fuel cells, and photonic device technologies are beginning to use ionic materials as electrolytes due to their superb stability and technologically valuable properties. As a broad class these materials have only been known for just over a decade and there is still more unknown than known about their structure and properties. The project will develop new advanced computational methods as a basis for understanding their properties and thereby allowing us to design-in desired features. Ultimately these advances will have support the development of energy efficient CO2 replacement technologies.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
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
Self-assembly and complexity: networks and patterns from materials to markets. Self-assembly leads the formation of patterns without external directing agents. It is responsible for the growth of complex multiscale structures found in biology and materials science and is a crucial concept for development of viable nanotechnologies. Complex systems, from biological ecosystems to financial markets and the Internet, are also characterized by spontaneous clustering and linkages that determine their ....Self-assembly and complexity: networks and patterns from materials to markets. Self-assembly leads the formation of patterns without external directing agents. It is responsible for the growth of complex multiscale structures found in biology and materials science and is a crucial concept for development of viable nanotechnologies. Complex systems, from biological ecosystems to financial markets and the Internet, are also characterized by spontaneous clustering and linkages that determine their collective behaviour. The project will investigate in detail the geometry, topology, materials science and statistical physics of networks, leading to design and characterization of robust self-assembled materials and complex systems.Read moreRead less
Tailoring geopolymer concretes for sustainable development. This project will benefit Australia by enhancing the wider uptake of environmentally friendly geopolymer concretes. These materials are now commercially available in Australia, and provide the opportunity to obtain value from multiple millions of tonnes of industrial wastes (coal fly ash and metallurgical slags). An Australian company, Zeobond, is currently the world's leading commercial producer of geopolymers, and is collaborating in ....Tailoring geopolymer concretes for sustainable development. This project will benefit Australia by enhancing the wider uptake of environmentally friendly geopolymer concretes. These materials are now commercially available in Australia, and provide the opportunity to obtain value from multiple millions of tonnes of industrial wastes (coal fly ash and metallurgical slags). An Australian company, Zeobond, is currently the world's leading commercial producer of geopolymers, and is collaborating in this project to develop a scientific understanding of how best to formulate durable geopolymer concretes. Geopolymer concrete will provide the opportunity to reduce Australia's CO2 emissions by over a million tonnes per year when implemented on a commercial scale.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
Understanding and optimising the microstructure of Germanium-Arsenic-Selenium glasses for superior device performance. The project will seek to use a combined theoretical and experimental approach to develop 'state of the art' optical glass materials for use in integrated nonlinear optical components. Such materials could be used as optical waveguides in broadband communication systems and offer the possibility of significant improvement in telecommunication performance.
Cost-efficient 2D heterostructures for solar overall water splitting. This project aims to develop novel processes to enable water splitting to generate hydrogen and oxygen under sunlight using cost-efficient 2D van der Waals heterostructures. Enhanced optical absorption and reduced charge transfer distance across the interface are expected to improve the photocatalytic activity. Experimental design and theoretical simulations will be combined to modulate the materials and achieve optimum photoc ....Cost-efficient 2D heterostructures for solar overall water splitting. This project aims to develop novel processes to enable water splitting to generate hydrogen and oxygen under sunlight using cost-efficient 2D van der Waals heterostructures. Enhanced optical absorption and reduced charge transfer distance across the interface are expected to improve the photocatalytic activity. Experimental design and theoretical simulations will be combined to modulate the materials and achieve optimum photocatalytic performances. Expected outcomes of this project include expanded chemistry knowledge and techniques in materials design and synthesis, photophysics and photocatalysis mechanism and solar energy conversion. This will provide significant benefits to clean energy and environmental protections.Read moreRead less