Two-dimensional graphitic carbon nitride heterostructures for solar hydrogen production. This project aims to develop a low cost and efficient photo-catalyst for splitting water into clean hydrogen fuel. Two-dimensional (2D) van der Waals hetero-structures (stacked 2D crystals) can modulate optical absorption, charge separation and hydrogen evolution activity better than a single 2D material and thus produce hydrogen more efficiently. The approach will build on recent success in controlling elec ....Two-dimensional graphitic carbon nitride heterostructures for solar hydrogen production. This project aims to develop a low cost and efficient photo-catalyst for splitting water into clean hydrogen fuel. Two-dimensional (2D) van der Waals hetero-structures (stacked 2D crystals) can modulate optical absorption, charge separation and hydrogen evolution activity better than a single 2D material and thus produce hydrogen more efficiently. The approach will build on recent success in controlling electron coupling at the hetero-interface. The materials and knowledge achieved from this project will advance the development of renewable energy technology, providing solutions to the global energy and environmental issues.Read moreRead less
Non-precious fuel cell cathode catalysts from carbon-based nanohybrids: a computational to experimental quest. This joint computational-experimental project will address significant problems including high cost, limited availability and poor performance in traditional platinum-based fuel cell technology. The outcomes are expected to help address global energy problems through the development of inexpensive fuel cell catalysts based on carbon nanohybrids.
Discovery Early Career Researcher Award - Grant ID: DE150101854
Funder
Australian Research Council
Funding Amount
$330,000.00
Summary
Exploring A New Family of 2D Heterogeneous Topological Insulator. The project aims to reveal a new family of two-dimensional heterostructure topological insulators by extensive theoretical simulations, and develop feasible approaches to control the topological phase, thus enabling their use in practical nanodevice applications. The project aims not only to advance knowledge in material chemistry and condensed matter physics, but also to lead to technology revolutions in information technology, c ....Exploring A New Family of 2D Heterogeneous Topological Insulator. The project aims to reveal a new family of two-dimensional heterostructure topological insulators by extensive theoretical simulations, and develop feasible approaches to control the topological phase, thus enabling their use in practical nanodevice applications. The project aims not only to advance knowledge in material chemistry and condensed matter physics, but also to lead to technology revolutions in information technology, clean energy generation and cooling devices based on topological insulators. The outcomes are expected to produce new technology applications in electronics, communications, information technology, data storage and transportation.Read moreRead less
Exploring electronic functionality in low-dimensional carbon and boron-nitride nanomaterials via advanced theoretical modelling. This project will spawn innovative carbon/boron nitride materials for next-generation electronics devices by devising new strategies to manipulate and control electronic structure as well as charge/spin transport properties. Outcomes will include technological breakthroughs leading to truly smaller, faster and smarter electronics materials.
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
To identify and to understand highly reactive surfaces for solar hydrogen production. This project aims to develop advanced technology to produce hydrogen - carbon-free fuel - from water with sunlight as the only energy input. Using clean energy to replace fossil fuels can help address the issues of energy supply and reduce carbon emissions, which is critically important for a sustainable Australia.
Computer-Aided Design of High-Performance Photocatalysts for Solar Hydrogen Production Based on Red Titanium Dioxide. Large-scale generation of energy by solar conversion is critical for future sustainability. This project aims to develop high performance materials to efficiently convert solar energy to hydrogen - a clean fuel. Starting from the newly developed material red titanium dioxide, novel strategies for improved photocatalytic materials will be proposed and evaluated by advanced computa ....Computer-Aided Design of High-Performance Photocatalysts for Solar Hydrogen Production Based on Red Titanium Dioxide. Large-scale generation of energy by solar conversion is critical for future sustainability. This project aims to develop high performance materials to efficiently convert solar energy to hydrogen - a clean fuel. Starting from the newly developed material red titanium dioxide, novel strategies for improved photocatalytic materials will be proposed and evaluated by advanced computational approaches. Key issues for solar-to-hydrogen conversion will be clarified. The materials, knowledge and strategies achieved by this project will dramatically enhance current solar technology and in particular will advance the development of low-cost hydrogen production from water. Read moreRead less
Preparing quantum chemistry for the second quantum revolution. This project aims to provide new computer models of quantum systems, which can be used to design new quantum technologies that exploit fundamental quantum physics, such as light harvesting. The benefits of such an approach are broad, as innovative technology firms can use its outputs in a virtual laboratory design process, saving time and costs. The work is significant, as it will bring a new physics-led approach to quantum chemistry ....Preparing quantum chemistry for the second quantum revolution. This project aims to provide new computer models of quantum systems, which can be used to design new quantum technologies that exploit fundamental quantum physics, such as light harvesting. The benefits of such an approach are broad, as innovative technology firms can use its outputs in a virtual laboratory design process, saving time and costs. The work is significant, as it will bring a new physics-led approach to quantum chemistry of excited states and open systems, which are likely to play a key role in future quantum technologies. It will also ensure Australia has well-trained computational chemists, who can take those skills to industry or academia; and will foster strong connections with Israel, a leader in the high-technology field.Read moreRead less
Function, Mechanism and Dynamics in Fluorescent Proteins: a Computational Investigation. The rich reservoir of chromoproteins and fluorescent proteins in the ecosystem of the Great Barrier Reef offers Australia a unique natural advantage for the development of a niche biotechnology industry based on fluorescent markers for cellular biology and biomedical imaging. This project provides a crucial component of the science that is necessary for developing such an industry: a molecular-level knowledg ....Function, Mechanism and Dynamics in Fluorescent Proteins: a Computational Investigation. The rich reservoir of chromoproteins and fluorescent proteins in the ecosystem of the Great Barrier Reef offers Australia a unique natural advantage for the development of a niche biotechnology industry based on fluorescent markers for cellular biology and biomedical imaging. This project provides a crucial component of the science that is necessary for developing such an industry: a molecular-level knowledge of how these proteins function and how we can manipulate and enhance their properties as imaging agents. It will achieve fundamental advances in biomolecular modelling techniques, train graduates with exceedingly valuable skill sets as well as deriving knowledge that aids the development of Australia's biotech industries.Read moreRead less
Dynamic modelling of biomolecular systems: Going beyond classical empirical force fields. The ability to accurately model the structural and functional aspects of biomolecular systems at an atomic level is of fundamental importance in the pharmaceutical and biotechnological industries. By developing new approaches for treating dispersion terms and transition metals we aim to improve our understanding of critical biomolecular systems such as how novel anti-cancer metal complexes interact with DNA ....Dynamic modelling of biomolecular systems: Going beyond classical empirical force fields. The ability to accurately model the structural and functional aspects of biomolecular systems at an atomic level is of fundamental importance in the pharmaceutical and biotechnological industries. By developing new approaches for treating dispersion terms and transition metals we aim to improve our understanding of critical biomolecular systems such as how novel anti-cancer metal complexes interact with DNA and block transcription and the role various transition metals such as Cu(II) and Zn(II) stabilize the conformations of peptides involved in Alzheimer's disease. In addition by greatly expanding the range of systems that can be modeled efficiently the work will have widespread benefits in academic research as well as for industry.Read moreRead less