Catalytic Mechanisms of Gold Clusters in Oxidation Reactions

Gold clusters, comprising aggregates of a few to a few hundred atoms, have emerged as exceptional catalysts for oxidation processes despite the bulk inertness of gold. Their activity originates from size-dependent electronic properties, high surface-to-volume ratios and the presence of low-coordinated sites that facilitate oxygen adsorption and activation. At the atomic scale, charge transfer between gold atoms and adsorbed oxygen species weakens O–O bonds and generates active oxygen intermediates. The interaction with supports further modulates catalytic performance: metal-oxide substrates can induce charge redistribution, alter cluster geometry and create interfacial sites that enhance reactant binding. These mechanisms underpin a range of oxidation reactions, including carbon monoxide conversion, selective oxidations of volatile organic compounds and alkene epoxidation. Research efforts focus on delineating the roles of cluster size, electronic structure and support effects, with advanced spectroscopic and computational methods revealing pathways for oxygen activation, intermediate formation and product desorption. The ability to tune gold cluster catalysts promises significant impact in environmental remediation, green chemical synthesis and energy-conversion applications.

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Catalytic Mechanisms of Gold Clusters in Oxidation Reactions publication trend

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Technical terms

Gold cluster: A nanoscale aggregation of gold atoms exhibiting size-dependent electronic and catalytic properties.

Catalytic oxidation: A reaction in which a catalyst accelerates the transfer of oxygen to a substrate.

Active site: Specific atomic arrangement on a catalyst surface where reactants bind and reactions occur.

Density functional theory (DFT): A quantum mechanical method for modelling electronic structure and reaction energetics.

Support effect: Modification of catalyst properties due to interactions between metal clusters and underlying substrates.

Perimeter interface: The boundary region between a cluster and its support, often rich in active sites for oxidation.

References

1. Adsorption of O2 on the Preferred -O-Au Sites of Small Gold Oxide Clusters: Charge-dependent Interaction and Activation. Molecules (2024).
2. Towards Atomically Precise Supported Catalysts from Monolayer‐Protected Clusters: The Critical Role of the Support. Chemistry - A European Journal (2020).
3. Mechanisms for Catalytic CO Oxidation on SiAun (n = 1–5) Cluster. Molecules (2023).