Cost-efficient 2D heterostructures for solar overall water splitting. This project aims to develop novel processes to enable water splitting to generate hydrogen and oxygen under sunlight using cost-efficient 2D van der Waals heterostructures. Enhanced optical absorption and reduced charge transfer distance across the interface are expected to improve the photocatalytic activity. Experimental design and theoretical simulations will be combined to modulate the materials and achieve optimum photoc ....Cost-efficient 2D heterostructures for solar overall water splitting. This project aims to develop novel processes to enable water splitting to generate hydrogen and oxygen under sunlight using cost-efficient 2D van der Waals heterostructures. Enhanced optical absorption and reduced charge transfer distance across the interface are expected to improve the photocatalytic activity. Experimental design and theoretical simulations will be combined to modulate the materials and achieve optimum photocatalytic performances. Expected outcomes of this project include expanded chemistry knowledge and techniques in materials design and synthesis, photophysics and photocatalysis mechanism and solar energy conversion. This will provide significant benefits to clean energy and environmental protections.Read moreRead less
Boosting Carbon Dioxide Reduction via Surface and Interface Engineering . This project will develop innovative catalysts for the reduction of CO2 into carbon fuels via cost effective computational design. The approach aims at engineering catalytic surface and interface to modulate the coordination environment around catalytic active copper atom. The expected outcomes will be high performance catalyst materials that can significantly boost the conversion of CO2 into valuable fuels. The new knowle ....Boosting Carbon Dioxide Reduction via Surface and Interface Engineering . This project will develop innovative catalysts for the reduction of CO2 into carbon fuels via cost effective computational design. The approach aims at engineering catalytic surface and interface to modulate the coordination environment around catalytic active copper atom. The expected outcomes will be high performance catalyst materials that can significantly boost the conversion of CO2 into valuable fuels. The new knowledge achieved in this project will dramatically advance the development of sustainable carbon cycle, providing solutions to the global energy supply and environmental issues. The smarter energy and environmental technologies will potentially result in the enhancements to the quality of the everyday lives of Australian.Read moreRead less
Hot Topic: Quantum Design of Phononic Heat Filters. Heat management is critical to many technologies for sustainable energy, electronics, protective equipment and energy-efficient buildings. The phonon is the quantum particle representing a travelling vibration and is responsible for the transmission of heat in solids. This project will study the new mechanisms for phonon transport in solids modified with embedded nanoparticles, which operate as phononic filters. Neutron spectroscopy provides a ....Hot Topic: Quantum Design of Phononic Heat Filters. Heat management is critical to many technologies for sustainable energy, electronics, protective equipment and energy-efficient buildings. The phonon is the quantum particle representing a travelling vibration and is responsible for the transmission of heat in solids. This project will study the new mechanisms for phonon transport in solids modified with embedded nanoparticles, which operate as phononic filters. Neutron spectroscopy provides a tool to measure the phonon density of states which is critical for developing a mathematical model of thermal boundary resistance. This is expected to identify mechanisms for ultra-low thermal conductivity leading to potential applications in thermoelectric generators and heat-resistant materials.Read moreRead less
Design and Fabrication of 2D Hybrid Materials. There are >300 2D materials like graphene with potentially exotic and useful electrooptic and superconductor properties that will drive novel industrial applications. This project aims to use advanced computational and experimental techniques to discover and fabricate new 2D hybrid materials built from different layers of 2D materials. This approach is essential as the number of possible hybrids is huge (millions) and current processes to identify a ....Design and Fabrication of 2D Hybrid Materials. There are >300 2D materials like graphene with potentially exotic and useful electrooptic and superconductor properties that will drive novel industrial applications. This project aims to use advanced computational and experimental techniques to discover and fabricate new 2D hybrid materials built from different layers of 2D materials. This approach is essential as the number of possible hybrids is huge (millions) and current processes to identify and build 2D hybrids are technically challenging and slow. Expected outcomes include defining a new paradigm for efficient identification and synthesis of 2D hybrids with exotic, bespoke properties. The generation of a large database of materials for researchers/industry would be of wide benefit.Read moreRead less
In Silico Discovery and Design of 2D Ferromagnets for Nanoscale Electronics. Two dimensional (2D) ferromagnets have great promise for next generation electronics, but suffer from small magnetic anistropy and low Curie temperature for application at the ambient condition. This project aims not only to tackle this challenge by discovering and designing 2D ferromagnet with large anistropy and Curie temperature, but also to engineer 2D ferromagnet with highly mobile electron or extra ferroelectricit ....In Silico Discovery and Design of 2D Ferromagnets for Nanoscale Electronics. Two dimensional (2D) ferromagnets have great promise for next generation electronics, but suffer from small magnetic anistropy and low Curie temperature for application at the ambient condition. This project aims not only to tackle this challenge by discovering and designing 2D ferromagnet with large anistropy and Curie temperature, but also to engineer 2D ferromagnet with highly mobile electron or extra ferroelectricity for novel nanoelectronic device. The technological outcomes will impact on the Australian economy through the potential for new knowledge-based electronics industry. Strong collaboration with leading expert will enable this Australian theoretical team to continue to establish itself as a leader in the field of 2D materials.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
From One Structure to Another for Improved Materials Design. This project aims to characterise a new way of generating strengthening precipitate structures for lightweight aluminium alloys. Precipitation in the solid state is key to the performance of many materials, but is especially important for light alloys used in structural applications. This project expects to deliver greater fundamental understanding of precipitation mechanisms and generate experimental and computational methods for thre ....From One Structure to Another for Improved Materials Design. This project aims to characterise a new way of generating strengthening precipitate structures for lightweight aluminium alloys. Precipitation in the solid state is key to the performance of many materials, but is especially important for light alloys used in structural applications. This project expects to deliver greater fundamental understanding of precipitation mechanisms and generate experimental and computational methods for three-dimensional characterisation and simulations at the atomic-scale of embedded nanostructures. This should provide significant benefits for the improved design of light alloys, such as for the automotive and aerospace sectors, but also for high-tech materials whose function depends on precipitates. Read moreRead less
Information transfer in topological matter: how relativity speeds up memory. In the 21st century our economy and security rely on fast information processing, which requires state-of-the-art computer memory. Emerging memory technologies rely on magnets, which retain data during power outages and switch faster than currently used semiconductor devices. This Fellowship will establish a breakthrough paradigm for ultra-fast information processing using magnets and newly-discovered topological materi ....Information transfer in topological matter: how relativity speeds up memory. In the 21st century our economy and security rely on fast information processing, which requires state-of-the-art computer memory. Emerging memory technologies rely on magnets, which retain data during power outages and switch faster than currently used semiconductor devices. This Fellowship will establish a breakthrough paradigm for ultra-fast information processing using magnets and newly-discovered topological materials. It will develop a computational tool to enhance the switching rate of devices incorporating topological materials that emulate industry blueprints for memory building blocks. If successful, it will vastly improve the speed and functionality of computer memory, logic elements, artificial intelligence devices and sensors.Read moreRead less
Charge and energy transport in disordered functional materials. This project aims to understand how energy and electric charge move through disordered materials. Many next-generation materials—including organic semiconductors, hybrid perovskites, and conductive metal-organic frameworks—promise better solar cells, sensors, and electrocatalysts; however, they remain incompletely understood because they are disordered and noisy systems that are difficult to describe mathematically. This project exp ....Charge and energy transport in disordered functional materials. This project aims to understand how energy and electric charge move through disordered materials. Many next-generation materials—including organic semiconductors, hybrid perovskites, and conductive metal-organic frameworks—promise better solar cells, sensors, and electrocatalysts; however, they remain incompletely understood because they are disordered and noisy systems that are difficult to describe mathematically. This project expects to develop the first theoretical techniques that capture all essential features of transport in disordered materials. The resulting understanding of structure-function relationships should accelerate the rational design of cutting-edge devices for energy conversion and storage.Read moreRead less