Physical and Theoretical Chemistry

Physical Chemistry of Catalysis

Additional sessions will address structure–activity relationships in single-atom, cluster, and nanoparticle catalysts, as well as support effects involving reducible oxides, zeolites, and two-dimensional materials. Presentations may cover microkinetic modelling of complex networks, scaling relations between adsorbate binding energies, and the identification of rate-determining and selectivity-controlling steps. Discussion will extend to acid–base and bifunctional catalysis, confinement effects in porous solids, enzyme active-site dynamics, and the role of solvation at electrocatalytic interfaces. Operando X-ray absorption, ambient-pressure photoelectron spectroscopy, infrared probes of adsorbed species, and isotopic transient kinetic analysis will be considered for observing catalysts under realistic conditions. Deactivation through coking, sintering, and poisoning will also be addressed. Computational screening and descriptor-based design of materials with improved catalyst activity, selectivity, and lifetime will be encouraged, with emphasis on transferable insights across homogeneous, heterogeneous, and biological systems.