Metal-Based Molecular Materials: From Electronic Structure to Functionality. This project aims to develop and explore new metal-based molecular materials, focusing on molecules that can act as magnets or be switched between multiple states by heating/cooling. This project expects to deliver an improved understanding of how the molecular electronic structure engenders desired physical properties in the target species. This insight will allow development of design principles for robust systems for ....Metal-Based Molecular Materials: From Electronic Structure to Functionality. This project aims to develop and explore new metal-based molecular materials, focusing on molecules that can act as magnets or be switched between multiple states by heating/cooling. This project expects to deliver an improved understanding of how the molecular electronic structure engenders desired physical properties in the target species. This insight will allow development of design principles for robust systems for nanodevices or advanced materials. As well as achieving important advances in fundamental chemistry, this project is anticipated to help lay the foundations for development of novel materials for high density data storage, quantum computing, molecular electronics/spintronics, optical displays or temperature/solvent sensors.Read moreRead less
Molecular Spin Switching with Earth Abundant Metals. This project aims to develop molecular materials based on non-precious metals that respond to stimuli, including heat or light, by switching between forms with different properties, such as colour and electrical conductivity. The project expects to deliver enhanced control over the switching characteristics and incorporation of the materials into responsive thin films, ready for integration into devices. These molecular switches are promising ....Molecular Spin Switching with Earth Abundant Metals. This project aims to develop molecular materials based on non-precious metals that respond to stimuli, including heat or light, by switching between forms with different properties, such as colour and electrical conductivity. The project expects to deliver enhanced control over the switching characteristics and incorporation of the materials into responsive thin films, ready for integration into devices. These molecular switches are promising for molecular electronics, spintronics and colour-based sensing and display devices. Their fast response time and small component size imply less heat to dissipate and therefore less electricity required for cooling upon implementation in information communications and other technologies.Read moreRead less
Extracting the 4f-wavefunction of rare earth magnets from X-ray diffraction. The project aims to develop a new combined computational quantum chemistry and experimental X-ray diffraction protocol to extract the 4f electron wavefunction in lanthanide magnetic materials. Results will be significant for the design and screening of efficient molecule-based magnets. Expected outcomes include detailed understanding of the influence of the chemical and crystal environment on single-molecule magnet prop ....Extracting the 4f-wavefunction of rare earth magnets from X-ray diffraction. The project aims to develop a new combined computational quantum chemistry and experimental X-ray diffraction protocol to extract the 4f electron wavefunction in lanthanide magnetic materials. Results will be significant for the design and screening of efficient molecule-based magnets. Expected outcomes include detailed understanding of the influence of the chemical and crystal environment on single-molecule magnet properties, and benchmarking and development of new computational methods. Significant benefits include focused strategies to design and identify commercially viable lanthanide-based molecular memories, and advance our understanding of the quantum mechanics of strongly correlated 4f electron systems.Read moreRead less
Computational design of high-temperature lanthanide-based molecular magnets. This project aims to improve our knowledge of special molecules pivotal to develop enhanced computer memories, namely Lanthanide Single-Molecule Magnets. The development of faster and more energy-efficient computers crucially depends on increasing their data storage capacity. Harnessing single molecules as tiny magnetic needles to store information is the next fundamental step. Recent findings have seen breakthroughs to ....Computational design of high-temperature lanthanide-based molecular magnets. This project aims to improve our knowledge of special molecules pivotal to develop enhanced computer memories, namely Lanthanide Single-Molecule Magnets. The development of faster and more energy-efficient computers crucially depends on increasing their data storage capacity. Harnessing single molecules as tiny magnetic needles to store information is the next fundamental step. Recent findings have seen breakthroughs towards the development of a commercially viable molecular computer. This project will develop ab-initio computational methods for the systematic rational design of high-temperature lanthanide-based single-molecule magnet materials.Read moreRead less
Understanding and improving rare earth corrosion inhibitors. This project aims to investigate rare earth corrosion inhibitors by an interdisciplinary program of chemistry and materials science.
The project will generate new knowledge as to how rare earth corrosion inhibitors function and can be improved.
Expected outcomes include a better understanding of inhibitor induced protective films and improved inhibitors.
Significant benefits are eventually better protection of infrastructure from .... Understanding and improving rare earth corrosion inhibitors. This project aims to investigate rare earth corrosion inhibitors by an interdisciplinary program of chemistry and materials science.
The project will generate new knowledge as to how rare earth corrosion inhibitors function and can be improved.
Expected outcomes include a better understanding of inhibitor induced protective films and improved inhibitors.
Significant benefits are eventually better protection of infrastructure from corrosion with greener inhibitors and a new bulk use for rare earths to aid Australia’s emerging rare earth industry.
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