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Meeting Materials Science & Technology 2020
Symposium Thermodynamics of Materials in Extreme Environments
Presentation Title Stabilities and Ultrafast Dynamics of Sub-nanometer Metal Oxide Clusters
Author(s) Scott G. Sayres
On-Site Speaker (Planned) Scott G. Sayres
Abstract Scope Research on isolated clusters in the gas-phase, serving as model systems to mimic the active sites of bulk surfaces, has provided a wealth of information on fundamental photochemical reaction dynamics. Here, I will present our recent experimental results showing the ultracold distributions of neutral TinOm, FenOm, and NinOm oxide clusters (where n < 10) as produced through the extreme conditions provided by gas-phase supersonic expansion. Research on this sub-nanometer size regime enables insights into the energy transfer, relaxation dynamics, and thermodynamic stability for a whole range of materials that differ from standard bulk stoichiometries and change with the addition or subtraction of a single atom. Specifically, I will show our ultrafast pump-probe spectroscopy measurements on the direct ionization, dissociation, and energy transfer dynamics for these cluster systems, and highlight how both the cluster size and oxidation state play important roles in driving photocatalytic performance.


Ab-initio Studies of Point Defects in Alumina under Electrochemical Conditions
Density Functional Theory Modeling on the Positive Effect of H2O in Hydrogen Oxidation Reaction on Perovskite Anode for Solid-oxide Fuel Cells
Effect of Physically Determined Coordination-numbers for Modeling Molten Salt Fuels Using the Modified Quasi-chemical Model (MQM)
Ellingham Diagram to Assess Synthesis Conditions and Chemical Stability of Ceramic Membranes under Operational Conditions
Exploring Extreme Environments via In-situ Electron Microscopy
Helium Irradiation of Gd2Zr2O7 Defect-fluorite Ceramics: Interfacial Phenomena and Radiation Resistance
Improved CMAS Resistance of Environmental Barrier Coatings via Tailoring Phase and Composition of Mixed Rare Earth Silicates
Molecular Modeling of Surface Exchange Mechanisms in Solid Oxide Fuel Cell Cathodes
Nanomaterials from Geopolymer, a Low-temperature Ceramics
Pressure-induced Anomalous Phase Transition Behavior in Layered Tellurene
Stabilities and Ultrafast Dynamics of Sub-nanometer Metal Oxide Clusters
The LiF–ZrF4 System Revisited - An Updated Thermodynamic Description Using New Information Data
Thermochemical Modeling of Molten Salt Systems for Reactors and Simulations with the Molten Salt Thermodynamic Database
Thermodynamic Modelling of Vacancies in Zirconium Carbide
Thermodynamics and Elastic Properties of Cerium Doped Yttrium Aluminum Garnets

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