Single-Atom Catalysis on Oxide Systems and Interfaces

Single-atom catalysis harnesses isolated metal atoms dispersed on oxide supports to achieve maximal atomic efficiency and unparalleled selectivity in heterogeneous reactions. Oxide systems such as iron oxides, titania, ceria and spinel structures provide well-defined anchoring sites and deliver unique electronic metal–support interactions that stabilise single atoms against aggregation. The coordination environment of each atom—its bonding to surrounding oxygen ligands—dictates adsorption strength, activation barriers and reaction pathways. Interfaces between different oxides or between oxide and metal films further tune these properties through strain, defect sites and cation exchange processes. Advanced surface-science methods, including scanning tunnelling microscopy, X-ray spectroscopies and atomistic simulations, are deployed in ultrahigh vacuum to unravel active site structures at the atomic level. Insights gleaned from model single-crystal studies guide the design of powder catalysts for CO oxidation, water–gas shift, hydrogenation and photocatalytic water splitting, with broad implications for energy conversion, emissions control and fine-chemical synthesis.

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Single-Atom Catalysis on Oxide Systems and Interfaces publication trend

The graph below shows the total number of articles in single-atom catalysis on oxide systems and interfaces across all publications each year (not limited to Nature Index journals).

Technical terms

Single‐atom catalyst: A heterogeneous catalyst in which individual metal atoms are isolated on a support, maximising atom utilisation and enabling site‐specific reactivity.

Oxide support: A metal‐oxide substrate (for example Fe₃O₄, Fe₂O₃, TiO₂ or Co₃O₄) that anchors metal atoms and modulates their electronic and geometric properties.

Coordination environment: The spatial arrangement and number of atoms or ligands directly bonded to a central metal atom, which governs its chemical activity.

Electronic metal–support interaction (EMSI): Charge transfer and bonding phenomena at the interface of a metal atom and oxide support that influence stability, oxidation state and catalytic function.

Scanning tunnelling microscopy (STM): A high‐resolution surface technique that images individual atoms and adsorbates by measuring the tunnelling current between a conductive tip and the sample.

References

1. CO‐Induced Dimer Decay Responsible for Gem‐Dicarbonyl Formation on a Model Single‐Atom Catalyst. Angewandte Chemie International Edition (2024).
2. Digging Its Own Site: Linear Coordination Stabilizes a Pt1/Fe2O3 Single-Atom Catalyst. ACS Nano (2024).
3. Atomistic picture of electronic metal support interaction and the role of water. Journal of Materials Chemistry A (2024).