Electronic and Optical Properties of Doped Titanium Dioxide. Titanium dioxide, is widely used as a white pigment, owing to its high refractive index, second, only after diamond. Yellowing of rutile pigment particles, observed on prolonged exposure to sunlight, is a serious problem that pigment manufacturers would like to overcome. It is proposed that aluminium-doping of rutile limits this discolouration by altering the electronic structure of the rutile particles. This project seeks to identify ....Electronic and Optical Properties of Doped Titanium Dioxide. Titanium dioxide, is widely used as a white pigment, owing to its high refractive index, second, only after diamond. Yellowing of rutile pigment particles, observed on prolonged exposure to sunlight, is a serious problem that pigment manufacturers would like to overcome. It is proposed that aluminium-doping of rutile limits this discolouration by altering the electronic structure of the rutile particles. This project seeks to identify the specific electronic cause of the yellowing process, the nature of the Al defect,it's effect on the electronic structure of rutile, and the electronic perturbations that may occur when other dopants are used.Read moreRead less
A reliable physical model of molecular motion in crystals. The scientific benefits would flow, in the first instance, to the large national and international communities of scientists whose research makes use of the results of X-ray diffraction experiments. Applications of the research to amino acids and peptides will benefit investigations into the structure and molecular dynamics of biological systems, including proteins and enzymes. Studies of charge densities in crystals will obtain a standa ....A reliable physical model of molecular motion in crystals. The scientific benefits would flow, in the first instance, to the large national and international communities of scientists whose research makes use of the results of X-ray diffraction experiments. Applications of the research to amino acids and peptides will benefit investigations into the structure and molecular dynamics of biological systems, including proteins and enzymes. Studies of charge densities in crystals will obtain a standard tool for improved modelling of molecular motion, resulting in physically more realistic charge density functions, and hence greater insight into the relationship between properties of crystals and their constituent molecules.Read moreRead less
Crowns, cages and cavities: Insights into host-guest chemistry from experimental charge density analysis of supramolecular crystals. Supramolecular systems - molecular aggregates - underpin the design and development of materials for a vast number of potential applications, in areas as diverse as catalysis, targeted drug delivery, gas storage, chemical separation, electro-optics and nonlinear optics. They also serve as models for complex phenomena such as self-assembly and ligand-receptor bindin ....Crowns, cages and cavities: Insights into host-guest chemistry from experimental charge density analysis of supramolecular crystals. Supramolecular systems - molecular aggregates - underpin the design and development of materials for a vast number of potential applications, in areas as diverse as catalysis, targeted drug delivery, gas storage, chemical separation, electro-optics and nonlinear optics. They also serve as models for complex phenomena such as self-assembly and ligand-receptor binding. Outcomes will impact on several of the nation's articulated research priorities and, through involvement of postdoctoral fellows and postgraduate students in an international collaboration of this nature, the project contributes directly to producing graduates and researchers familiar with state-of-the-art experimental facilities, both within Australia and overseas.Read moreRead less
Voids in molecular crystals: Novel computational approaches to their characterization, physicochemical nature, and influence on bulk properties. Key to the research objectives is further development of our own innovative software and techniques, now used by hundreds of researchers worldwide for the visualization and exploration of the structure and properties of molecular crystals. Through involvement of postdoctoral fellows and PhD students in an international collaborative research program inv ....Voids in molecular crystals: Novel computational approaches to their characterization, physicochemical nature, and influence on bulk properties. Key to the research objectives is further development of our own innovative software and techniques, now used by hundreds of researchers worldwide for the visualization and exploration of the structure and properties of molecular crystals. Through involvement of postdoctoral fellows and PhD students in an international collaborative research program involving a synergy between software development and visualization, and sophisticated modelling of the detailed nature of molecular crystals, the project contributes directly to producing researchers familiar with state-of-the-art theoretical and computational techniques, and well equipped to match the needs of one of the nation's articulated research priorities.Read moreRead less
Better Batteries via Controlling the Properties of Electrolytic Manganese Dioxide. Physical properties of electrolytic manganese dioxide (EMD) such as crystal structure, morphology and electrochemical characteristics determine its usefulness in alkaline batteries. However, the relationship between these parameters is not well understood. This APAI project will attempt to address these shortcomings in the current understanding of the production process by focussing on the relationships between fu ....Better Batteries via Controlling the Properties of Electrolytic Manganese Dioxide. Physical properties of electrolytic manganese dioxide (EMD) such as crystal structure, morphology and electrochemical characteristics determine its usefulness in alkaline batteries. However, the relationship between these parameters is not well understood. This APAI project will attempt to address these shortcomings in the current understanding of the production process by focussing on the relationships between fundamental physical, chemical and electrochemical properties of EMD. The results will be of benefit in optimising the process and ensuring that EMD with superior performance can be consistently produced.Read moreRead less
Structural studies of titanyl and zirconyl sulfate hydrates. This project aims to provide knowledge that will inform the development of new methods of extraction and refining of titanium from ilmenite ores. In addition the knowledge gained in this research will aid the design and synthesis advanced ceramics and nanocomposites, and will provide the fundamental understanding of material structures that are required to adequately control the formation of such materials.
Linkage Infrastructure, Equipment And Facilities - Grant ID: LE0775551
Funder
Australian Research Council
Funding Amount
$550,000.00
Summary
Integrated Advanced X-ray Diffraction Facility. The new equipment will provide a unique facility for single crystal, powder and thin film structure elucidation using X-ray diffraction techniques. No other techniques have the capabilities in structure determination of materials at an atomic level which are necessary for delivering applications in nano-technology, health care products, amongst many fields, for the benefit for the community at large. The facility will foster a more innovative resea ....Integrated Advanced X-ray Diffraction Facility. The new equipment will provide a unique facility for single crystal, powder and thin film structure elucidation using X-ray diffraction techniques. No other techniques have the capabilities in structure determination of materials at an atomic level which are necessary for delivering applications in nano-technology, health care products, amongst many fields, for the benefit for the community at large. The facility will foster a more innovative research culture and provide excellent research training at the highest international level, and will provide a platform to maximise access to the new Opal Research Reactor and Australian Synchrotron.Read moreRead less
ARC Molecular and Materials Structure Research Network. The Network will build powerful e-Science resources for the structural sciences. Collaborative remote access will be developed for sophisticated instrumentation, including instruments planned for the Replacement Research Reactor and Australian Synchrotron. A structure database service with cross disciplinary content and versatile visualisation and analysis capabilities will further exemplify smart information use. The internet services will ....ARC Molecular and Materials Structure Research Network. The Network will build powerful e-Science resources for the structural sciences. Collaborative remote access will be developed for sophisticated instrumentation, including instruments planned for the Replacement Research Reactor and Australian Synchrotron. A structure database service with cross disciplinary content and versatile visualisation and analysis capabilities will further exemplify smart information use. The internet services will ultimately harness the Grid, enabling linkage into other national and international Grid systems. Encompassing physics, computer science, applied mathematics, chemistry and biochemistry, and catalysing interaction across these disciplines, the MMSN will impact all five National Research Priority 3 goals.Read moreRead less
Linkage Infrastructure, Equipment And Facilities - Grant ID: LE0453426
Funder
Australian Research Council
Funding Amount
$235,000.00
Summary
Access for Australian Researchers to Advanced Neutron Beam Techniques. Neutron scattering is one of the most powerful and important investigative tools in the study of materials. Australia has only a low-flux neutron source, HIFAR, which provides no cold or hot neutrons. This excludes large, important areas of science, such as functional films, polymers, self-assembly systems, biological materials, colloids and emulsions, and real-time in-situ studies.
This application aims to continue Australi ....Access for Australian Researchers to Advanced Neutron Beam Techniques. Neutron scattering is one of the most powerful and important investigative tools in the study of materials. Australia has only a low-flux neutron source, HIFAR, which provides no cold or hot neutrons. This excludes large, important areas of science, such as functional films, polymers, self-assembly systems, biological materials, colloids and emulsions, and real-time in-situ studies.
This application aims to continue Australia's partnership with the world's most intense neutron source, ISIS in the UK, in order to sustain the considerable Australian scientific momentum which now relies on ISIS.
The outcomes will be new science that cannot be generated solely within Australia.
Read moreRead less
Linkage Infrastructure, Equipment And Facilities - Grant ID: LE0882725
Funder
Australian Research Council
Funding Amount
$1,000,000.00
Summary
Access for Australian Researchers to Advanced Neutron Beam Techniques. The major national benefit will be access, by peer review, to the 35 specialised instruments at the world's leading pulsed Neutron and Muon source, ISIS. This complements the access to the eight neutron instruments that will operate at the Australian Reactor OPAL. This will support (or enable) high quality research into areas as diverse as materials development, mineral processing and aspects of biological and medical scien ....Access for Australian Researchers to Advanced Neutron Beam Techniques. The major national benefit will be access, by peer review, to the 35 specialised instruments at the world's leading pulsed Neutron and Muon source, ISIS. This complements the access to the eight neutron instruments that will operate at the Australian Reactor OPAL. This will support (or enable) high quality research into areas as diverse as materials development, mineral processing and aspects of biological and medical science. It will facilitate international collaborations that are important for both research and post-graduate student training.Read moreRead less