Heterogeneous Catalysis and Surface Reaction Mechanisms

Heterogeneous catalysis underpins a vast array of chemical processes in which reactions occur at the interface between a solid catalyst and fluid reactants. The interplay between surface structure, electronic properties and adsorbed species governs reaction rates, selectivity and catalyst lifetime. At the atomic scale, reactant molecules first adsorb onto specific active sites, where bond activation proceeds through well‐defined intermediates. Surface reaction mechanisms often involve steps such as adsorption, surface diffusion, bond breaking or formation, and product desorption. The thermodynamics and kinetics of these elementary steps determine overall catalytic performance. Advances in operando spectroscopy, high‐resolution microscopy and theoretical modelling now allow atomistic insights into reaction pathways, revealing how subsurface species, surface reconstructions or spectator adsorbates can steer selectivity. Practical applications span energy conversion (for example fuel cells and electrolytic hydrogen production), emission control, fine‐chemical synthesis and environmental remediation. By tailoring catalyst composition, morphology and support interactions, researchers strive to optimise activity, durability and resource efficiency on a global scale.

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Heterogeneous Catalysis and Surface Reaction Mechanisms publication trend

The graph below shows the total number of articles in heterogeneous catalysis and surface reaction mechanisms across all publications each year (not limited to Nature Index journals).

Technical terms

Heterogeneous catalysis: Catalysis in which the catalyst is in a different phase (usually solid) from the reactants, with reactions occurring at the interface.

Active site: A specific location on a catalyst surface where reactant molecules adsorb and undergo chemical transformation.

Adsorbate: A molecule or atom that is bound to a surface during a catalytic process.

Subsurface hydrogen: Hydrogen atoms that penetrate beneath the outermost layer of a metal catalyst, influencing surface reaction pathways.

Keto–enol tautomerisation: A reversible chemical rearrangement converting a carbonyl (keto) form into its alkene‐alcohol (enol) isomer, often a key step in hydrogenation mechanisms.

Operando spectroscopy: Techniques that monitor catalytic processes in real time under working conditions, providing insights into active intermediates and surface dynamics.

References

1. Crucial Effect of Subsurface Hydrogen on Low-Barrier Hydrogenation and Keto–Enol Tautomerization of Carbonyl Compounds. ACS Catalysis (2024).
2. Studies of adsorption of α,β-unsaturated carbonyl compounds on heterogeneous Au/CeO 2 , Au/TiO 2 and Au/SiO 2 catalysts during reduction by hydrogen. RSC Advances (2022).
3. Selective electrocatalytic hydrogenation of α,β-unsaturated ketone on (111)-oriented Pd and Pt electrodes. Electrochimica Acta (2022).