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: LE0668520
Funder
Australian Research Council
Funding Amount
$560,000.00
Summary
South Australian Supercluster Facility. This project will maintain and build on existing excellence and strength in areas ranging from computational chemistry, bioinformatics, and plant functional genomics through to water resources management, fluid dynamics and novel fibres and materials for photonics. It will enable the development of cutting edge computational tools and techniques and will maintain and grow strong international links. It will produce graduates of the highest quality able t ....South Australian Supercluster Facility. This project will maintain and build on existing excellence and strength in areas ranging from computational chemistry, bioinformatics, and plant functional genomics through to water resources management, fluid dynamics and novel fibres and materials for photonics. It will enable the development of cutting edge computational tools and techniques and will maintain and grow strong international links. It will produce graduates of the highest quality able to use advanced computing to solve real-world problems. The training provided and the tools and techniques developed will bring major economic benefits and provide excellent links to Australian industry.Read moreRead less