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
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