Adsorption and Catalysis of Aromatic Compounds on Metal Surfaces

The adsorption of aromatic compounds such as benzene, nitrobenzene and anisole on metal surfaces underpins numerous catalytic processes spanning petrochemical refinement, fine-chemical synthesis and environmental remediation. At the atomic scale, π–metal interactions govern binding geometries, adsorption energies and reaction pathways. Insights from advanced surface spectroscopies and theoretical modelling have demonstrated how surface crystallography, defect sites and alloy composition modulate these interactions. Bimetallic surfaces, for instance, enable fine-tuning of d-band centres and local electronic structures to balance adsorption strength with catalytic turnover. This balance is critical for selective hydrogenation, dehydrogenation and functionalisation of aromatic rings under mild conditions. Practical applications include the sustainable production of cyclohexene, mitigation of volatile organic compound emissions and development of efficient fuel-cell catalysts. Continued progress in characterising metal–arene interfaces promises to accelerate the design of next-generation heterogeneous catalysts with improved activity, selectivity and stability, addressing global challenges in energy and materials science.

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Adsorption and Catalysis of Aromatic Compounds on Metal Surfaces publication trend

The graph below shows the total number of articles in adsorption and catalysis of aromatic compounds on metal surfaces across all publications each year (not limited to Nature Index journals).

Technical terms

Adsorption: The accumulation of molecules on a solid surface driven by intermolecular forces.

Heterogeneous catalysis: Acceleration of a chemical reaction by a solid catalyst in a different phase than the reactants.

Aromatic compound: An organic molecule containing a conjugated ring of alternating double bonds with delocalised π-electrons.

Density functional theory (DFT): A quantum mechanical method for modelling the electronic structure of atoms, molecules and solids.

Microkinetic simulation: Computational modelling of the elementary steps and rate constants in a catalytic reaction network.

Chemical softness: A measure of the polarizability of a molecule or surface and its propensity to undergo charge transfer.

Electron-stimulated desorption (ESD): The ejection of ions or neutral fragments from a surface induced by incident electrons.

References

1. Theoretical Study on the Effect of Pd/Zn Ratio on Benzene Hydrogenation Catalytic Activity and Selectivity. Catalysts (2025).
2. Chemical Softness in Aromatic Adsorption: Benzene, Nitrobenzene and Anisole on Pt{111}. The Journal of Physical Chemistry A (2024).
3. Electron stimulated desorption from condensed benzene. Physical Chemistry Chemical Physics (2024).