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
2D Multiferroics: From Materials Design to Device Conceptualization. This project aims to design new transistors with high efficiency and low energy costing for the storage applications based on two-dimensional multifunctional heterostructures. Extensive computational simulations and joint experiments will be employed to develop fundamental knowledge essential to understanding the phenomena of magnetoelectric coupling, which is used to guide rational device design and implementation. The designe ....2D Multiferroics: From Materials Design to Device Conceptualization. This project aims to design new transistors with high efficiency and low energy costing for the storage applications based on two-dimensional multifunctional heterostructures. Extensive computational simulations and joint experiments will be employed to develop fundamental knowledge essential to understanding the phenomena of magnetoelectric coupling, which is used to guide rational device design and implementation. The designed magnetoelectric heterostructures and the multiferroic devices are expected to provide strong foundations for technological innovations resulting in devices with superior functionality and efficiency. The outcome of the project will significantly benefit high-tech electronics.Read moreRead less
Sustainable Electrocatalytic Synthesis of Urea. Urea is a critical chemical for agriculture, the chemical industry and pollution control, yet current production methods are unsustainable. This project aims to design high-efficiency catalysts for electrochemical urea synthesis from theoretical studies. This project expects to generate new knowledge of chemistry and catalysis from new reaction mechanisms and materials. Expected outcomes include optimum catalysts with high conversion efficiency and ....Sustainable Electrocatalytic Synthesis of Urea. Urea is a critical chemical for agriculture, the chemical industry and pollution control, yet current production methods are unsustainable. This project aims to design high-efficiency catalysts for electrochemical urea synthesis from theoretical studies. This project expects to generate new knowledge of chemistry and catalysis from new reaction mechanisms and materials. Expected outcomes include optimum catalysts with high conversion efficiency and reactant selectivity. The novel catalysts have the potential to deliver improved catalytic performance and controllable reaction reactants. This could deliver significant benefits to the crop production increase, cost reduction of chemical industry, and environmental pollution reduction.Read moreRead less
Solving the solvent problem in chemical modelling. This project aims to produce highly accurate, user-friendly chemical solvent models using interdisciplinary theoretical chemistry techniques. The benefits of these novel models are extremely broad since chemical modelling is more impactful than traditional laboratory based techniques in solving multi-faceted modern chemical problems. The proposed outcomes of the project are significant, as they will transform how applied research solves difficul ....Solving the solvent problem in chemical modelling. This project aims to produce highly accurate, user-friendly chemical solvent models using interdisciplinary theoretical chemistry techniques. The benefits of these novel models are extremely broad since chemical modelling is more impactful than traditional laboratory based techniques in solving multi-faceted modern chemical problems. The proposed outcomes of the project are significant, as they will transform how applied research solves difficult and expensive real world chemical problems by allowing researchers to reliably include solvents in their models. It will have economic benefits for the chemical, mining and materials sectors in Australia, which represent billion-dollar industries.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
Switching, sensing and multifunctionality in spin crossover materials. This project aims to increase the temperature range where molecular spin states can be switched optically or electronically, and to develop new multifunctional materials combining switchable hosts with functional guests. By combining novel theories, synthesis and experiments, this project expects to generate step-change advances in the understanding of spin-switching materials and discover materials with novel properties wort ....Switching, sensing and multifunctionality in spin crossover materials. This project aims to increase the temperature range where molecular spin states can be switched optically or electronically, and to develop new multifunctional materials combining switchable hosts with functional guests. By combining novel theories, synthesis and experiments, this project expects to generate step-change advances in the understanding of spin-switching materials and discover materials with novel properties worthy of commercial development. Significant anticipated outcomes and benefits include the identification and development of several new classes of materials function, each of major fundamental interest, and the generation of new advanced materials with applications in electronics, sensing and gas separations.Read moreRead less
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
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