Studying Molecular Dynamics with Electron and Laser Interactions. We plan to use state-of-the-art experimental techniques and methodologies to probe the dynamics of molecular processes stimulated by either laser or electron interactions. These processes are fundamental to our understanding of both natural phenomena and many devices used in the technology of today and of the future. As a result of this study our insight into the mechanisms underpining these phenomena and devices will be enhanced.
Linkage Infrastructure, Equipment And Facilities - Grant ID: LE0219618
Funder
Australian Research Council
Funding Amount
$215,000.00
Summary
National Facility for Advanced Molecular Orbital Imaging. We will develop a new two-dimensional multiparameter high-resolution electron momentum spectroscopy (EMS) spectrometer that incorporates multiparameter data acquisition and reduction techniques and combine it with a new time of flight (TOF) ion-analyser in order to perform the first high-resolution EMS with oriented target experiments.
In conjunction with theoretical calculations, the results from these experiments will provide the most ....National Facility for Advanced Molecular Orbital Imaging. We will develop a new two-dimensional multiparameter high-resolution electron momentum spectroscopy (EMS) spectrometer that incorporates multiparameter data acquisition and reduction techniques and combine it with a new time of flight (TOF) ion-analyser in order to perform the first high-resolution EMS with oriented target experiments.
In conjunction with theoretical calculations, the results from these experiments will provide the most advanced evaluation for molecular orbital imaging quality for the chemically significant targets we wish to study. This in turn will lead to the determination of more accurate physico-chemical information, including structure and bonding information, for these targets.Read moreRead less
Cross sections for electron scattering from molecules and radicals of technological and environmental relevance. We will use two state of the art crossed beam spectrometers to measure absolute differential and integral cross sections for low energy electron scattering from molecules and their molecular fragments (radicals). The species to be considered are those of significant industrial (e.g. C2F4, C4F8 and CF2) and environmental (e.g. CO2 and H2O) interest, with the cross sections we will mea ....Cross sections for electron scattering from molecules and radicals of technological and environmental relevance. We will use two state of the art crossed beam spectrometers to measure absolute differential and integral cross sections for low energy electron scattering from molecules and their molecular fragments (radicals). The species to be considered are those of significant industrial (e.g. C2F4, C4F8 and CF2) and environmental (e.g. CO2 and H2O) interest, with the cross sections we will measure being crucial to our modelling both the processes involved in plasma enhanced chemical vapour desposition of semiconductor devices and the spectral emission characteristics of planetary atmospheres. The modelling will be conducted self-consistently with our enhanced statistical equilibrium simulation code, which is unique to Australia.Read moreRead less
Inter- and Intra-molecular interactions probed by electron momentum spectroscopy. High-resolution electron momentum spectroscopy (EMS) will be used to study bonding (intra-molecular interactions) in complex oriented organic species. This will allow us, in conjunction with density functional theory calculations, to evaluate the basis sets and exchange-correlation (XC) functionals employed in those calculations, thereby potentially enabling quantum chemists to build more physically accurate XC-fu ....Inter- and Intra-molecular interactions probed by electron momentum spectroscopy. High-resolution electron momentum spectroscopy (EMS) will be used to study bonding (intra-molecular interactions) in complex oriented organic species. This will allow us, in conjunction with density functional theory calculations, to evaluate the basis sets and exchange-correlation (XC) functionals employed in those calculations, thereby potentially enabling quantum chemists to build more physically accurate XC-functionals and basis sets. As chemistry largely occurs in solution, the future will increasingly focus on solvated species. Consequently, we are also initiating an EMS study of the electronic wavefunctions of solvated species with our recently developed "clusters" EMS spectrometer. This will provide the first data on the electronic wavefunctions involved in inter-molecular interactions.Read moreRead less
Environmental and Technological Applications of Electron-Driven Processes. We plan to use state-of-the-art experimental techniques and methodologies for the measurement of collision cross sections and reaction rates for low energy electron-driven process in molecules and molecular radicals. These processes are fundamental to our understanding of our environment and many devices used in the technology of today and of the future. In particular we will provide accurate cross sections for NOx and SO ....Environmental and Technological Applications of Electron-Driven Processes. We plan to use state-of-the-art experimental techniques and methodologies for the measurement of collision cross sections and reaction rates for low energy electron-driven process in molecules and molecular radicals. These processes are fundamental to our understanding of our environment and many devices used in the technology of today and of the future. In particular we will provide accurate cross sections for NOx and SOx pollutants and H2O, as well for molecules such as C4F8, and its radicals such as CF2, which are used extensively in plasma processing technologies.Read moreRead less
Linkage Infrastructure, Equipment And Facilities - Grant ID: LE0989390
Funder
Australian Research Council
Funding Amount
$500,000.00
Summary
Versatile Scanning X-ray Microscopy Facility at the Australian Synchrotron. The challenges of the modern world means that the Australian community must continue to have access to state of the art research tools. An important component of international synchrotron sources is the very high resolution x-ray microscope. These microscopes are used to image samples of biological, material or environmental significance with extraordinary precision. This project will establish such a microscope at the A ....Versatile Scanning X-ray Microscopy Facility at the Australian Synchrotron. The challenges of the modern world means that the Australian community must continue to have access to state of the art research tools. An important component of international synchrotron sources is the very high resolution x-ray microscope. These microscopes are used to image samples of biological, material or environmental significance with extraordinary precision. This project will establish such a microscope at the Australian Synchrotron in Clayton, and nucleates an extensive nationwide collaboration that is devoted to the development of this and related techniques and their application to problems of national scientific, environmental and technological importance.Read moreRead less
Mathematical and mechanical models in nano-engineering and nanomedicine. The major environmental problems generated from global warming and the major human health problems, like cancer and diabetes, if they are to be solved at all, will most likely be resolved making use of advances in nanobiotechnology. This proposal will position Australia as a leader in the modelling of nanodevices such as gigahertz oscillators, nano-electromagnets, nanosensors, nanosyringes and nanoporous media suitable for ....Mathematical and mechanical models in nano-engineering and nanomedicine. The major environmental problems generated from global warming and the major human health problems, like cancer and diabetes, if they are to be solved at all, will most likely be resolved making use of advances in nanobiotechnology. This proposal will position Australia as a leader in the modelling of nanodevices such as gigahertz oscillators, nano-electromagnets, nanosensors, nanosyringes and nanoporous media suitable for hydrogen storage and gas separation, which will lead to new technologies and commercial spin-offs that will be of major benefit to this country. The applicants will develop a range of topics in nano-engineering and nanomedicine, training a team that will provide the next generation of researchers in these vital areas.Read moreRead less
Modelling of multiscale systems in engineering and science supports large-scale equation-free simulations and analysis. A persistent feature of complex systems in engineering and science is the emergence of macroscopic, coarse grained, coherent behaviour from the interactions of microscopic agents (molecules, cells) and with their environment. In current modeling, ranging from ecology to materials science, the underlying microscopic mechanisms are known, but the closures to translate microscale ....Modelling of multiscale systems in engineering and science supports large-scale equation-free simulations and analysis. A persistent feature of complex systems in engineering and science is the emergence of macroscopic, coarse grained, coherent behaviour from the interactions of microscopic agents (molecules, cells) and with their environment. In current modeling, ranging from ecology to materials science, the underlying microscopic mechanisms are known, but the closures to translate microscale knowledge to a system level macroscopic description are rarely available in closed form. Our novel, equation free, computational methodologies will circumvent this stumbling block, and promises to radically change the modeling, exploration and understanding of complex system behavior. We continue to develop this powerful computational methodology. Read moreRead less
Energetics, spectroscopy and dissociation dynamics of bimolecular complexes of atmospheric importance. The Global Warming debate illustrates the importance of having a firm scientific underpinning to calculations of the atmosphere. It is important in calculations of atmospheric chemistry to have all pathways and species properly accounted for. It has recently emerged that intermolecular complexes may play a role in atmospheric chemistry. Of these, those involving water are very important beca ....Energetics, spectroscopy and dissociation dynamics of bimolecular complexes of atmospheric importance. The Global Warming debate illustrates the importance of having a firm scientific underpinning to calculations of the atmosphere. It is important in calculations of atmospheric chemistry to have all pathways and species properly accounted for. It has recently emerged that intermolecular complexes may play a role in atmospheric chemistry. Of these, those involving water are very important because of water's ability to form strong hydrogen bonds. This project will provide key experimental data on one of the most important complexes, the water-hydroxyl radical complex.Read moreRead less
Linkage Infrastructure, Equipment And Facilities - Grant ID: LE0989747
Funder
Australian Research Council
Funding Amount
$400,000.00
Summary
Ultrafast Dynamics Measurement Facility for the Physical, Biochemical, and Materials Sciences. The term "ultrafast revolution" describes the transformations in science due to ultrafast laser technology. Today, ultrafast lasers are used in surgery, nanomaterial fabrication, biomedical imaging, spectroscopic investigations, and new applications are still emerging. This facility will draw together leading chemists, physicists, and engineers to investigate key ultrafast processes and phenomena in th ....Ultrafast Dynamics Measurement Facility for the Physical, Biochemical, and Materials Sciences. The term "ultrafast revolution" describes the transformations in science due to ultrafast laser technology. Today, ultrafast lasers are used in surgery, nanomaterial fabrication, biomedical imaging, spectroscopic investigations, and new applications are still emerging. This facility will draw together leading chemists, physicists, and engineers to investigate key ultrafast processes and phenomena in the physical, biochemical and material sciences. This is of strategic importance to keep Australia at the global forefront for scientific endeavours, supporting new research and commercial opportunities. This facility will also produce highly trained graduates, who will find employment in industry throughout Australia and globally.Read moreRead less