The conversion and upgrading of molecules intended for use as energy carriers, the derivatization and functionalization of these molecules to chemicals and polymer precursors, and the mitigation of the environmental consequences of the use of fuels and chemicals are enabled by processes based on heterogeneous catalysts. Catalysis, its practice and its concepts, will remain relevant as we respond to changes in feedstock availability and type. With this mindset, our group focuses on the molecular-level description and control of catalytic chemistries relevant for the transformation of transitional sources of fuels and feedstocks such as natural gas and biomass..
The functional characterization of reactivity is accomplished by isotopic tracer and transient studies, chemical transient methods, and steady-state kinetic measurements to determine the evolution of surface species and reaction intermediates prevalent under reaction conditions. These kinetics and mechanistic studies are complemented by general structural and chemical characterization studies using X-ray diffraction, electron microscopy, porosity measurements, thermal analysis techniques and infrared and NMR spectroscopies. In intimate collaboration with these experimental studies, computational studies using Density Functional Theory (DFT) are done to examine molecule-surface interactions and chemical rearrangements relevant for these chemistries.
Our integrated experimental/ theoretical approach lies at the crossroads of materials synthesis, computational catalysis and catalytic chemistry and aims to advance our ability to understand, design and control chemical transformations using catalysis.
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