Join us in London in April 2026 for this edition of the Faraday Discussion series, unique international discussion meetings that address current and emerging topics at the forefront of the physical sciences.
The Discussion will bring together established and early-career scientists, postgraduate students and industrial researchers from the heterogenous catalysis and surface chemistry communities to design the new catalysts needed for society’s most pressing problems ranging from energy production, air quality and transportation to environmentally sustainable industry.
Themes
The Discussion will be organised into four themes:
New experimental methods for observing catalysts in action
This session will focus on the dynamic nature of catalytic surfaces. Monitoring structural and chemical changes non-invasively during reactions poses a significant challenge in catalysis research. The operando methodology discussed in this section integrates the characterization of a catalyst's structure and composition while it is operational with the analysis of its performance. This comprehensive approach allows for a deep understanding of the catalyst's morphology, structure, surface/bulk composition, and their intricate interactions with reacting molecules and conditions.
Impact of artificial intelligence on heterogeneous catalysis
To apply AI and especially large language models effectively in catalysis research, fundamental changes are needed in the way experimental and computational data are reported. Data will be a central part of the discussion, including a critical analysis of databases (computational and experimental data), the quality of data and metadata, and the challenges of obtaining data. We will also discuss which AI methods are expected to yield breakthroughs, the role of generative large language models, machine-learning force fields, the concept of “materials genes” in heterogenous catalysis, uncertainty quantification, and more.
Chemical mechanisms and system analysis in heterogeneous catalysis
The catalyst surface is dynamically and chemically involved in the reaction and may change its chemical composition and physical structure due to the ongoing catalytic reactions that release heat and involve the catalyst’s atoms. We will discuss experimental and theoretical challenges in how we identify key reaction intermediates, elementary reaction steps and active configurations of the most important elementary reactions.
Rational design of dynamic and self-repairing active sites
The development of new strategies for catalyst design that allow for the prediction of their dynamic changes and ability to self-repair is crucial for achieving control over their long-term activity, selectivity, and stability. We will discuss novel approaches that can be employed in the design of atomically precise sites and the design of stable precursor structures that can be dynamically converted to active sites by adsorbed reactants/intermediates during the catalytic reaction. We will also consider whether self-assembly principles can be used to control the stability and repair of the active sites.
For more information and to register visit https://www.rsc.org/events/detail/80739/bridging-the-gap-from-surface-science-to-heterogeneous-catalysis-faraday-discussion
