Elucidating CO2-to-Methanol/Oxygenates Reaction Mechanisms by Transient and Spatiotemporal Operando Methodologies

This PhD project explores active sites and reaction mechanisms in Cu-based and non-Cu-based methanol synthesis catalysts. Using operando vibrational spectroscopy (IR and Raman) with techniques like Concentration Modulation Excitation Spectroscopy (CMES) and Steady-State Isotopic Transient Kinetic Analysis (SSITKA), it aims to uncover active site formation and their roles in catalytic activity and selectivity. Spatiotemporal SSITKA provides detailed kinetics, while vibrational spectroscopy is complemented by electronic (X-ray absorption/emission) and structural (XRD, Pair Distribution Function) analyses, often conducted simultaneously. The project also identifies fluid phases (e.g., water, oxygenates, CO2) within catalyst pores under high-pressure conditions. Catalyst materials, synthesized by collaborating ARC CBBC research groups, will be studied to provide comprehensive insights into catalytic processes, focusing on the interplay between structural, electronic, and kinetic factors in catalysis.

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