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Next generation core-shell materials based on biomolecular dual-templating. This project aims to discover and develop new methods and knowledge for the precision engineering of next-generation core-shell materials using sustainable biomolecular dual-templating processes. This research builds on a recent breakthrough - emulsion and biomimetic dual-templating technology for facile preparation of silica capsules, and is expected to revolutionise current approaches for making core-shell materials. S ....Next generation core-shell materials based on biomolecular dual-templating. This project aims to discover and develop new methods and knowledge for the precision engineering of next-generation core-shell materials using sustainable biomolecular dual-templating processes. This research builds on a recent breakthrough - emulsion and biomimetic dual-templating technology for facile preparation of silica capsules, and is expected to revolutionise current approaches for making core-shell materials. Significant outcomes are expected to be achieved through building fundamental understanding around this breakthrough, including new concepts for hierarchical nanomaterials based on biomolecular design, new molecular and engineering design rules for core-shell materials, and novel materials for applications in sustained release and delivery systems.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
Targeted synthesis of porous materials towards gas sorption and separation. Targeted synthesis, using a building block strategy and computational design, is an efficient method for controlled synthesis of porous materials. This project uses this method to synthesise porous materials with permanent functional pores for separating and storing fuels and greenhouse gases, addressing demanding energy and environmental problems.
Precision-Engineered Polymer Nanomaterials. Designing polymer nanoparticles that interact with or mimic biological systems represents a challenge in the field of polymer science. The project will address this challenge to deliver a quantitative and qualitative understanding linking synthetic materials and biological systems. Structurally perfect polymeric dendrimers, prepared using break through synthetic approaches and kinetic and computer modelling, are the ideal structure to introduce this fu ....Precision-Engineered Polymer Nanomaterials. Designing polymer nanoparticles that interact with or mimic biological systems represents a challenge in the field of polymer science. The project will address this challenge to deliver a quantitative and qualitative understanding linking synthetic materials and biological systems. Structurally perfect polymeric dendrimers, prepared using break through synthetic approaches and kinetic and computer modelling, are the ideal structure to introduce this function with predictable behaviour. The project will achieve tangible impacts for global communities and industries including the development of biomimetic nanodevices for smart drug delivery devices and peptide mimics.Read moreRead less
Discovery Early Career Researcher Award - Grant ID: DE220101147
Funder
Australian Research Council
Funding Amount
$407,600.00
Summary
First-principles design of atomic defects for quantum technologies. This project aims to address the issue of designing and engineering better single-photon sources based on atomic defects in solids, a crucial building block for many quantum technologies. Using advanced first-principles quantum mechanical theories and calculations, the project expects to produce fundamental knowledge of key mechanisms and properties, and to use this to inform the design of new atomic defects for tailored applica ....First-principles design of atomic defects for quantum technologies. This project aims to address the issue of designing and engineering better single-photon sources based on atomic defects in solids, a crucial building block for many quantum technologies. Using advanced first-principles quantum mechanical theories and calculations, the project expects to produce fundamental knowledge of key mechanisms and properties, and to use this to inform the design of new atomic defects for tailored applications as quantum emitters. The expected outcomes, including novel methodologies, will contribute to different research areas, from condensed matter and materials physics to quantum science and technology. This project should provide significant benefits in accelerating quantum technology innovation in Australia.Read moreRead less
All-Metal Nanoporous Materials as Highly Active Electrocatalysts. This project aims to create new avenues for well-controlled large-scale synthesis of hierarchical nanoporous platinum-based architectures, and develop applications for the resultant new electrocatalysts. Developing novel high-performance, low-cost, and long-life electrode catalysts can improve the efficiency, cost, and durability of energy conversion technology. The project plans to use the unique properties of well-defined nanoar ....All-Metal Nanoporous Materials as Highly Active Electrocatalysts. This project aims to create new avenues for well-controlled large-scale synthesis of hierarchical nanoporous platinum-based architectures, and develop applications for the resultant new electrocatalysts. Developing novel high-performance, low-cost, and long-life electrode catalysts can improve the efficiency, cost, and durability of energy conversion technology. The project plans to use the unique properties of well-defined nanoarchitectures to reduce platinum content and to improve electrocatalytic performance. Nanoporous systems in electrocatalysts can provide more active sites and effective surface permeability, which should enhance catalytic activity. Project outcomes may also contribute to our understanding of the relationships among morphologies, pore structures, surface atomic structures and catalytic activities to guide the development of other kinds of high performance nanoporous catalysts.Read moreRead less
Enhanced force fields for computational drug design and materials research. This project aims to improve the atomic interaction functions used to calculate the structural, dynamic and thermodynamic properties of molecules that alter net charge or structure in different environments. Predicting the stability of alternative protonation and tautomeric states for molecules bound to therapeutic targets is a major challenge in computational drug design. It is key to identifying the therapeutically act ....Enhanced force fields for computational drug design and materials research. This project aims to improve the atomic interaction functions used to calculate the structural, dynamic and thermodynamic properties of molecules that alter net charge or structure in different environments. Predicting the stability of alternative protonation and tautomeric states for molecules bound to therapeutic targets is a major challenge in computational drug design. It is key to identifying the therapeutically active chemical species as well as understanding drug transport and off-target effects. The work will expand the utility of modelling software used by over 13,000 researchers worldwide. In addition, the improved interaction functions will also help in the understanding of a wide range of other materials at an atomic level.Read moreRead less
Elucidating the morphology of organic semiconductors at an atomic level. Controlling morphology and self-organization at a molecular level is key to advancing the performance of optoelectronic devices such as organic light-emitting diodes and organic photovoltaic cells. Current device development relies on a costly and inefficient empirical design cycle (material synthesis followed by device fabrication and testing). In addition, the active layers often involve multiple components and their nano ....Elucidating the morphology of organic semiconductors at an atomic level. Controlling morphology and self-organization at a molecular level is key to advancing the performance of optoelectronic devices such as organic light-emitting diodes and organic photovoltaic cells. Current device development relies on a costly and inefficient empirical design cycle (material synthesis followed by device fabrication and testing). In addition, the active layers often involve multiple components and their nano-scale morphology is difficult to probe experimentally. Recently developed molecular simulation techniques can provide unique insight into atomic-level structural details that determine device efficiency. The project will determine if such simulations are sufficiently accurate to be industrially useful.Read moreRead less
Discovery Early Career Researcher Award - Grant ID: DE190100144
Funder
Australian Research Council
Funding Amount
$411,000.00
Summary
Rational design of light-emitting materials for lighting and displays. This project aims to solve the most pressing problem in organic light emitting diodes - the lack of highly efficient, phosphorescent blue emitters. The project expects to generate new understanding of energy loss mechanisms in such devices from multiscale quantum mechanical models, which describe the interaction of the emitter with its environment, and to design new materials via big data approaches. Expected outcomes include ....Rational design of light-emitting materials for lighting and displays. This project aims to solve the most pressing problem in organic light emitting diodes - the lack of highly efficient, phosphorescent blue emitters. The project expects to generate new understanding of energy loss mechanisms in such devices from multiscale quantum mechanical models, which describe the interaction of the emitter with its environment, and to design new materials via big data approaches. Expected outcomes include a fundamental understanding of non-radiative decay processes in organometallic complexes and more efficient lighting and display technologies. This project should provide significant benefits in reducing energy use, as lighting and displays consume around a quarter of the energy generated in developed countries.Read moreRead less
Validation of predicted solution processed organic semiconductor properties. Controlling organic semiconductor film morphology at a molecular level is key to advancing the performance of optoelectronic devices such as large area organic light-emitting diode lighting, solar cells and sensors. The project aims to move from an empirical design cycle of material synthesis, device fabrication and testing to a more predictive approach where morphologies from molecular simulations are used to rationali ....Validation of predicted solution processed organic semiconductor properties. Controlling organic semiconductor film morphology at a molecular level is key to advancing the performance of optoelectronic devices such as large area organic light-emitting diode lighting, solar cells and sensors. The project aims to move from an empirical design cycle of material synthesis, device fabrication and testing to a more predictive approach where morphologies from molecular simulations are used to rationalise differences in experimentally measured optoelectronic properties. Outcomes will include unique insight into atomic-level structural details that determine device efficiency and an understanding of whether atomic simulations can be applied to accelerate improvements in device performance and translation to industry.Read moreRead less