Thermodynamic Insights into the Free-Energy Landscape of Catalytic Reactions

ABSTRACT

Catalytic technology development spans multiple disciplines, from elucidating atomistic and electronic phenomena to reactor engineering and process optimization. In this talk, I will present an overview of current research challenges in uncovering the structure and dynamics of catalytic surfaces and the resulting molecular dance steps of chemical building blocks that govern the sustainable synthesis of value-added chemicals and next-generation fuels. The focus is on engineering reactive surfaces with atomic precision and on reshaping the reaction free-energy landscape, enabling the discovery of new chemistry and catalytic pathways. Specific examples include: (i) Tuning interfacial chemistry on transition-metal surfaces to direct the catalytic fate of hydrogen in hydrogenation and hydrodeoxygenation reactions of biomass-derived oxygenates; (ii) Moderating reaction microenvironments and examining their catalytic consequences across thermocatalytic and electrocatalytic systems; (iii) Establishing a thermodynamic framework to rationalize excess potentials and exploit these correlations to identify reaction environments that enable exceptional turnovers in C–O bond scission catalysis. These findings demonstrate that, despite their apparent complexity, solvent and local environment effects on intrinsic catalytic rates remain governed by multidimensional thermodynamic–kinetic correlations. Such correlations provide guiding principles for the discovery and design of new catalytic chemistry.

BIO

Ya-Huei (Cathy) Chin is Professor and Canada Research Chair (Tier II) in Advanced Catalysis for Sustainable Chemistry at the University of Toronto. Her research focuses on establishing mechanistic linkages and developing kinetic–thermochemical frameworks to understand catalytic events and surface dynamics during the transformation of molecular building blocks into value-added chemicals and liquid fuels. She integrates isotopic labeling, kinetic analysis, and density functional theory to interrogate catalyst surface dynamics and reaction pathways at vapor–solid and liquid–solid interfaces.

Professor Chin serves as an Associate Editor for the Journal of Catalysis and as an advisory board member for several leading journals in the field, including Applied Catalysis B: Environmental, Reaction Chemistry and Engineering, Chem Catalysis, and the Canadian Journal of Chemical Engineering.