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
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
Ionic lquids for scalable production of monolayer two-dimensional materials. This project aims to produce stable solutions of high quality, two-dimensional materials (2DMs, exemplified by graphene) in ionic liquids by spontaneous exfoliation. The project will develop processes for producing significant quantities of high quality 2DMs for use in a diverse range of technologies, and train graduate students in experimental and computational chemistry techniques.
Hirshfeld surfaces in molecular crystals: Revolutionary tools for crystal engineers. Crystal engineering is an exciting modern branch of chemistry that seeks to understand intermolecular interactions in the context of crystal packing, and to use this understanding in the design of new materials with desirable physical and chemical properties. This project will considerably extend our already significant contribution to the detailed analysis of intermolecular interactions in molecular crystal st ....Hirshfeld surfaces in molecular crystals: Revolutionary tools for crystal engineers. Crystal engineering is an exciting modern branch of chemistry that seeks to understand intermolecular interactions in the context of crystal packing, and to use this understanding in the design of new materials with desirable physical and chemical properties. This project will considerably extend our already significant contribution to the detailed analysis of intermolecular interactions in molecular crystal structures. It will achieve this by a substantial enhancement of our novel visualization tools, by improving upon current approaches to the analysis of theoretical and experimental crystalline electron distributions for molecular materials, and by ensuring the widespread availability of resulting software to all researchers.Read moreRead less
Nonlinear optical properties of molecular crystals: An innovative approach to their determination using high-resolution X-ray diffraction data. This project will make a novel contribution towards the creation and optimisation of new optically-active materials, an objective central to future photon science and information technology. By developing and implementing innovative approaches in the charge density analysis of high-resolution, low-temperature single-crystal X-ray diffraction data, we wil ....Nonlinear optical properties of molecular crystals: An innovative approach to their determination using high-resolution X-ray diffraction data. This project will make a novel contribution towards the creation and optimisation of new optically-active materials, an objective central to future photon science and information technology. By developing and implementing innovative approaches in the charge density analysis of high-resolution, low-temperature single-crystal X-ray diffraction data, we will obtain in-crystal estimates of the electronic part of molecular (hyper)polarisabilities and related bulk susceptibilities, for crystals of selected important organic nonlinear optical (NLO) materials. The program will exploit advances in CCD technology for X-ray data collection, procedures for electron density and wavefunction fitting, and analysis of molecular dynamics in crystals.Read moreRead less
Linkage Infrastructure, Equipment And Facilities - Grant ID: LE110100093
Funder
Australian Research Council
Funding Amount
$600,000.00
Summary
Shared laser facility. This shared laser facility will provide a pool of lasers to support the research of about 20 research groups and 30 PhD students.
Quantum chemical methods: From wavefunction to density functional theory. This project aims to address a major challenge in quantum chemistry - how to extend the applicability of high-level quantum chemical methods to larger molecules. High-level quantum chemical methods can consistently obtain reliable thermochemical and kinetic data, but due to their steep computational cost, they are only applicable to relatively small molecules. The project expects to introduce new concepts and methodologies ....Quantum chemical methods: From wavefunction to density functional theory. This project aims to address a major challenge in quantum chemistry - how to extend the applicability of high-level quantum chemical methods to larger molecules. High-level quantum chemical methods can consistently obtain reliable thermochemical and kinetic data, but due to their steep computational cost, they are only applicable to relatively small molecules. The project expects to introduce new concepts and methodologies that build on recent breakthrough research in the field of ab initio computational chemistry. The new methods should be capable of energetic predictions of unprecedented accuracy for relatively large systems across the Periodic Table and will be used for the development of better density functional theory procedures.Read moreRead less
Special Research Initiatives - Grant ID: SR0354636
Funder
Australian Research Council
Funding Amount
$30,000.00
Summary
Australian Computational Molecular Science Network. Computational Molecular Science (CMS) involves the use of theory and computational methods to simulate and visualise molecular systems ranging from small atmospheric species to proteins, nucleic acids, chemical polymers and materials. It represents our most incisive expression of what we understand about the molecular basis of nature. The CMS network will integrate and cross-fertilize both fundamental and application-based expertize in molecula ....Australian Computational Molecular Science Network. Computational Molecular Science (CMS) involves the use of theory and computational methods to simulate and visualise molecular systems ranging from small atmospheric species to proteins, nucleic acids, chemical polymers and materials. It represents our most incisive expression of what we understand about the molecular basis of nature. The CMS network will integrate and cross-fertilize both fundamental and application-based expertize in molecular scale computations in the fields of nanoscience, biomaterials, biotechnology, biomedical science and environmental science. It will uncover and explore critical new interdisciplinary science and create new molecular-based paradigms that will drive advances in these fields over the next decade.Read moreRead less
Linkage Infrastructure, Equipment And Facilities - Grant ID: LE100100236
Funder
Australian Research Council
Funding Amount
$180,000.00
Summary
Facilities for spectroscopy and diffraction at high pressures. The provision of infrastructure for the study of novel materials under high pressures will enhance Australia's capability in creating new materials and in creating new devices that meet needs in communication, environment and medicine applications. The new facility will enable researchers to understand the response of structures to extreme pressures and will exploit the unique capabilities of the synchrotron light.