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Structural control over single-crystalline oxides for heterogeneous catalysis

Nature Reviews Chemistry volume 9, pages 397–414 (2025)Cite this article

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Abstract

Oxides are integral to heterogeneous catalysis, serving critical roles such as catalyst supports, active materials and electrodes. A highly ordered subset, single-crystalline oxides, have traditionally been used as model catalyst supports in fundamental surface science studies. However, advancements in bulk synthesis have rendered their general use more feasible for real-world applications. In this review, we explore the efficiency of single-crystalline oxides as active metals and supports across a wide range of heterogeneous processes, often performing exceptionally well. Beginning with synthetic methods, we discuss the advantages of single-crystalline oxides in thermo-, electro- and photocatalysis. Previously held conventions about catalytic activity, deactivation and surface–adsorbate interactions are re-evaluated by understanding how these ordered materials behave during the respective reactions. Last, we assess advances in characterization techniques and their impact on designing the next generation of catalysts based on single-crystalline oxides.

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Fig. 1: Alternative synthetic methods for nano-sized single-crystalline oxide preparation.
Fig. 2: Single-crystalline oxides in thermochemical catalysis.
Fig. 3: Engineering stability and activity through facet control.
Fig. 4: Characterization of single-crystalline oxide-based catalyst structures.
Fig. 5: Integrating reaction and surface spectroscopy analysis for mechanistic studies.

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Acknowledgements

This work is funded by King Abdullah University of Science and Technology (KAUST).

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Author notes

  1. These authors contributed equally: Seok-Jin Kim, Raghu V. Maligal-Ganesh.

Authors and Affiliations

  1. Oxide and Organic Nanomaterials for Energy and Environment Laboratory, Chemistry Program, Physical Science and Engineering, King Abdullah University of Science and Technology, Thuwal, Saudi Arabia

    Seok-Jin Kim, Raghu V. Maligal-Ganesh, Javeed Mahmood, Pravin Babar & Cafer T. Yavuz

  2. Advanced Membranes and Porous Materials Center, Physical Science and Engineering, King Abdullah University of Science and Technology, Thuwal, Saudi Arabia

    Seok-Jin Kim, Raghu V. Maligal-Ganesh, Javeed Mahmood, Pravin Babar & Cafer T. Yavuz

  3. KAUST Catalysis Center, Physical Science and Engineering, King Abdullah University of Science and Technology, Thuwal, Saudi Arabia

    Seok-Jin Kim, Raghu V. Maligal-Ganesh, Javeed Mahmood, Pravin Babar & Cafer T. Yavuz

  4. Division of Sciences, Krea University, Sri City, India

    Raghu V. Maligal-Ganesh

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Contributions

S.-J.K. and R.V.M.-G. contributed equally and wrote the manuscript. P.B. and J.M. provided sections and editing. C.T.Y. conceived, wrote, edited, and supervised the review.

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Kim, SJ., Maligal-Ganesh, R.V., Mahmood, J. et al. Structural control over single-crystalline oxides for heterogeneous catalysis. Nat Rev Chem 9, 397–414 (2025). https://doi.org/10.1038/s41570-025-00715-5

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