Catalytic Properties and Spectroscopic Characterization of Cerium Oxides

Cerium oxides (CeO₂ and its derivatives) are quintessential materials in heterogeneous catalysis owing to their facile redox cycling between Ce⁴⁺ and Ce³⁺ states and their high oxygen storage capacity. The creation and migration of oxygen vacancies underpin key processes such as total oxidation of pollutants, the water–gas shift reaction and three-way automotive catalysis. Advances in spectroscopic characterisation—including transmission electron microscopy, X-ray photoelectron spectroscopy, Raman and electron energy-loss techniques—have enabled atomic-level insight into defect structures, surface chemistry and electronic states. The interplay between theory (notably density functional theory) and experiment has refined our understanding of active sites, facet-dependent reactivity and the mechanisms of oxygen activation. Such knowledge guides defect engineering, dopant incorporation and support–metal interactions, with broad implications for energy conversion, environmental remediation and green chemical processes.

Research from Nature Portfolio

Recent studies have used in situ transmission electron microscopy to visualise reversible phase transitions in gadolinium-doped ceria at sub-ångström resolution, revealing how electron-beam parameters modulate oxygen vacancy concentration and drive structural rearrangements. Complementary investigations have demonstrated that ultraviolet irradiation can serve as an annealing-free route to defect engineering in ceria nanocrystals, increasing Ce³⁺ levels and oxygen‐vacancy sites; this photo-induced reduction enhances catalytic performance via a Mars–van Krevelen mechanism, even at room temperature.

Catalytic Properties and Spectroscopic Characterization of Cerium Oxides publication trend

The graph below shows the total number of articles in catalytic properties and spectroscopic characterization of cerium oxides across all publications each year (not limited to Nature Index journals).

Technical terms

Oxygen vacancy: A missing oxygen atom in the crystal lattice that enables redox cycling and enhances surface reactivity.

Redox cycling: The reversible transition between Ce⁴⁺ and Ce³⁺ oxidation states, allowing oxygen storage and release.

In situ spectroscopy: Analytical techniques performed under reaction conditions to observe real-time structural and electronic changes.

Operando: Measurement of a working catalyst under actual reaction conditions to correlate structure and activity.

Facet: A defined crystallographic surface plane of a particle that governs adsorption energies and reaction pathways.

References

1. in situ observation of reversible phase transitions in Gd-doped ceria driven by electron beam irradiation. Nature Communications (2024).
2. Toward an Atomic-Level Understanding of Ceria-Based Catalysts: When Experiment and Theory Go Hand in Hand. Accounts of Chemical Research (2021).
3. Photoelectron spectroscopy of ceria: Reduction, quantification and the myth of the vacancy peak in XPS analysis. Surface and Interface Analysis (2023).
4. Enhancement of catalytic activity by UV-light irradiation in CeO2 nanocrystals. Scientific Reports (2019).
5. Investigative properties of CeO2 doped with niobium: A combined characterization and DFT studies. Nanotechnology Reviews (2021).