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
Light Activated Electrochemistry: Microelectrode Arrays with just one wire. Electrochemistry requires each electrode to be connected to the external circuit by a wire. With many electrodes this means many wires. Wires limit electrode density in arrays and dictate that the electrode architecture must be predetermined. This project aims to remove the need for a wire for each electrode by using light to sequentially connect each electrode to a single wire. This will be achieved using modified silic ....Light Activated Electrochemistry: Microelectrode Arrays with just one wire. Electrochemistry requires each electrode to be connected to the external circuit by a wire. With many electrodes this means many wires. Wires limit electrode density in arrays and dictate that the electrode architecture must be predetermined. This project aims to remove the need for a wire for each electrode by using light to sequentially connect each electrode to a single wire. This will be achieved using modified silicon electrodes where irradiating with light causes an increase in conductivity at the illumination spot. The project will explore the variables that influence the spatial resolution and apply the ideas to making soft connects for nanoelectronics and making high density electrode arrays for electroanalysis.Read moreRead less
Counting the Electrons: Nickel Catalysed Electrochemical C-H Activation. Modern chemical synthetic methods using organometallic catalysts are highly prized in chemical industry and provide a multibillion dollar driver for world economies. However, traditional catalysis is expensive because of the reliance on rare earth metals often conjunction with toxic additives or reagents. The aim of this work is to develop new inexpensive transition metal catalysts based on earth abundant nickel and harness ....Counting the Electrons: Nickel Catalysed Electrochemical C-H Activation. Modern chemical synthetic methods using organometallic catalysts are highly prized in chemical industry and provide a multibillion dollar driver for world economies. However, traditional catalysis is expensive because of the reliance on rare earth metals often conjunction with toxic additives or reagents. The aim of this work is to develop new inexpensive transition metal catalysts based on earth abundant nickel and harness the power of electrons through electrochemistry to dramatically improve the reactivity of these catalysts. This project will seek to improve the way both complex and commonly used chemicals constructed through an atom economical process with potentially renewably produced electrons.Read moreRead less
Discovery Early Career Researcher Award - Grant ID: DE160100732
Funder
Australian Research Council
Funding Amount
$359,544.00
Summary
Electrostatic Catalysis: guiding reactive interfaces using electric fields. This project seeks to gain quantitative understanding of the role of electrostatics over chemical processes. Chemical transformations of organic compounds at interfaces underpin some of the most important processes, from the production of fine chemicals for pharmaceuticals to assisting bio-degradation of pollutants in clean technologies. Recent computational studies suggest that by applying oriented electric fields at in ....Electrostatic Catalysis: guiding reactive interfaces using electric fields. This project seeks to gain quantitative understanding of the role of electrostatics over chemical processes. Chemical transformations of organic compounds at interfaces underpin some of the most important processes, from the production of fine chemicals for pharmaceuticals to assisting bio-degradation of pollutants in clean technologies. Recent computational studies suggest that by applying oriented electric fields at interfaces, the rate and the selectivity of chemical processes can be altered at will. The project intends to test these theoretical findings. The knowledge generated by this research may translate into new technologies for the fine-chemical and biotechnology industries.Read moreRead less
Confinement of space based on association of water soluble container molecules. The proposed research addresses the use of water soluble bowl shaped molecules or ions (cavitands) in conjunction with metal ions and crown ether and related cryptand molecules to form molecular capsules, two or more of the components being pre-programmed to assemble thus. The new materials will be unique in supramolecular chemistry, with the associated architectures bearing on materials science, molecular electronic ....Confinement of space based on association of water soluble container molecules. The proposed research addresses the use of water soluble bowl shaped molecules or ions (cavitands) in conjunction with metal ions and crown ether and related cryptand molecules to form molecular capsules, two or more of the components being pre-programmed to assemble thus. The new materials will be unique in supramolecular chemistry, with the associated architectures bearing on materials science, molecular electronics, separation sciences, and drug delivery. The new range of water soluble container molecules that will become accessible as part of this proposal, promises new applications in these areas.Read moreRead less
STABILISATION OF TITANIA PIGMENTS FOR IMPROVED WATER-BASED PAINT APPLICATIONS. This project aims to improve the stability and optical properties of titania pigments in water-based paints. Tailored dispersing agents will be used to stabilise pigments in paints in both the wet and dry state. Enhanced understanding of the dispersing agents interaction with the titania pigment surface and the subsequent stability of the pigment in dry paint films will allow advances in water-based paint stability. T ....STABILISATION OF TITANIA PIGMENTS FOR IMPROVED WATER-BASED PAINT APPLICATIONS. This project aims to improve the stability and optical properties of titania pigments in water-based paints. Tailored dispersing agents will be used to stabilise pigments in paints in both the wet and dry state. Enhanced understanding of the dispersing agents interaction with the titania pigment surface and the subsequent stability of the pigment in dry paint films will allow advances in water-based paint stability. This understanding facilitates continued movement away from solvent-based paints required by environmental and health legislation. The potential growth in market share for the Australian pigment industry is in excess of $50M pa.Read moreRead less