Atomically Dispersed Metal Catalysts in Heterogeneous Catalysis

Atomically dispersed metal catalysts represent a frontier in heterogeneous catalysis, offering maximal utilisation of precious metals and uniquely defined active sites. By anchoring individual metal atoms on tailored supports, researchers achieve remarkable enhancements in activity, selectivity and stability across a variety of reactions, from environmental remediation to fine-chemical synthesis. The precise coordination environment of each metal centre governs its electronic structure and reactivity, while the choice of support material influences both the dispersion of metal atoms and resistance to sintering under harsh conditions. Advances in synthetic strategies—such as defect engineering, ligand-assisted deposition and atomic layer deposition—have enabled the creation of stable single-atom catalysts on oxides, carbons and zeolites. Concurrently, sophisticated characterisation techniques, including aberration-corrected electron microscopy and synchrotron-based spectroscopies, have unveiled the local structure and dynamics of these isolated sites. The integration of theory and experiment is yielding predictive design principles that guide the development of next-generation catalysts with atom-efficient, highly selective performance for energy conversion, environmental protection and chemical manufacturing.

Research from Nature Portfolio

Recent studies have revealed that the local coordination of platinum single atoms on shape-controlled anatase TiO₂ supports can dramatically influence catalytic behaviour. On (101) facets, Pt atoms reside on the surface, displaying high accessibility and enhanced activity for CO oxidation, whereas on (001) facets they migrate beneath the surface during calcination, resulting in lower reactivity due to limited gas-phase access. Moreover, commercial TiO₂ supports host Pt atoms both at the surface and within the bulk, highlighting the challenge of controlling site uniformity. This work underscores the importance of facet engineering and coordination heterogeneity in designing single-atom catalysts with predictable performance.

Atomically Dispersed Metal Catalysts in Heterogeneous Catalysis publication trend

The graph below shows the total number of articles in atomically dispersed metal catalysts in heterogeneous catalysis across all publications each year (not limited to Nature Index journals).

Technical terms

Single-atom catalyst (SAC): A catalyst in which isolated metal atoms are dispersed on a support surface, maximising atomic utilisation and creating uniform active sites.

Coordination environment: The arrangement of atoms or ligands immediately surrounding a metal centre, defining its geometric and electronic properties.

Support: A solid material, often an oxide, that anchors catalytic metal species and influences their dispersion, stability and reactivity.

Extended X-ray absorption fine structure (EXAFS): A spectroscopic technique that probes the local atomic structure around a specific element by analysing oscillations in X-ray absorption spectra, revealing bond distances and coordination.

Site heterogeneity: The presence of multiple distinct active site types or coordination geometries in a catalyst sample, which can affect overall performance and selectivity.

References

1. Distribution of Pt single atom coordination environments on anatase TiO2 supports controls reactivity. Nature Communications (2024).
2. Controlling catalytic activity and selectivity for partial hydrogenation by tuning the environment around active sites in iridium complexes bonded to supports. Chemical Science (2019).
3. Small but mighty: unlocking the catalytic power of individual iridium atoms on titanium oxide. Frontiers in Nanotechnology (2023).
4. Quantifying the Site Heterogeneities of Non‐Uniform Catalysts Using QuantEXAFS. Chemistry - Methods (2024).