Surface Chemistry and Catalytic Properties of Metal Oxides
Summary
Metal oxides occupy a central role in heterogeneous catalysis owing to their rich surface chemistry, tunable redox behaviour and structural versatility. Surface sites such as oxygen vacancies, coordinatively unsaturated metal centres and acid–base ensembles govern adsorption, activation and transformation of reactant molecules. The interplay between surface composition, crystal facets and defect populations directs catalytic selectivity and activity in processes ranging from CO oxidation and water–gas shift to photocatalytic water splitting and CO₂ reduction. Key factors include the oxidation state of the metal, the mobility of lattice oxygen and the formation of surface intermediates. Computational methods such as density functional theory complement in situ spectroscopy and microscopy, allowing atomic-scale insight into adsorption geometries, reaction pathways and energy barriers. Practical applications span environmental remediation, sustainable fuel production and chemical synthesis, underscoring the global importance of understanding and optimising metal-oxide catalysts.
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Surface Chemistry and Catalytic Properties of Metal Oxides publication trend
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Technical terms
Physisorption: Weak, non-bonding adsorption of molecules via van der Waals forces.
Chemisorption: Strong adsorption involving the formation of chemical bonds between adsorbate and surface atoms.
Oxygen vacancy: A missing oxygen atom in the lattice that creates an electron-rich site, often enhancing catalytic activity.
Active site: A specific surface location—such as a defect, step edge or coordinatively unsaturated metal centre—where catalytic transformation occurs.
Density functional theory (DFT): A quantum-mechanical modelling method for calculating electronic structure and reaction energetics on surfaces.
References
- Effect of Water Vapor on Oxidation Processes of the Cu(111) Surface and Sublayer. International Journal of Molecular Sciences (2023).
- Effects of Electric Field on Chemical Looping Combustion: A DFT Study of CO Oxidation on CuO (111) Surface. ACS Omega (2024).
- Methanol Decomposition on Copper Surfaces under Ambient Conditions: Mechanism, Surface Kinetics, and Structure Sensitivity. ACS Catalysis (2022).
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