Topic: Exploring the Mechanism of Metal Cluster Catalysis

Metal nanoclusters, with their unique electronic structures and quantum effects, exhibit outstanding performance in catalysis. This Special Issue focuses on the catalytic mechanisms of metal nanoclusters, exploring their size effects, surface/interface structures, and electronic/spin states to elucidate their regulation of reaction pathways, active sites, and energy barriers. The high density of under-coordinated sites and distinctive electronic states in nanoclusters significantly enhance the adsorption and activation of reactive species. Moreover, the tunability of nanoclusters enables the optimization of catalytic activity and selectivity through surface ligand regulation, metal-support interactions, and inter-cluster synergistic effects. This research provides theoretical support for uncovering the fundamental catalytic mechanisms of metal nanoclusters and lays the groundwork for designing efficient and sustainable catalytic systems for key energy catalytic reactions.

Specific areas to be covered include, but are not limited to:
● Quantum Size Effect;
● Surface Effects and Coordination Unsaturation;
● Charge Transfer and Activation Effects;
● Cluster-Support Synergistic Effects;
● Cluster Structure and Composition Modulation;
● Cluster Operando/in-situ Characterization;
● Paradigms of Nanocluster-Based Catalysis: Intact Nanoclusters for Catalysis; Locally Activated Nanoclusters for Catalysis; Ligand-off Nanoclusters for Catalysis; Nanoclusters as Precursors to New Catalysts.

Metal nanoclusters, redox reaction, electrocatalysis, photocatalysis, electron-transfer catalysis, effect of ligands on the same metal core, CO₂ reduction, water electrolysis, hydrogen production, material advanced characterization, ligand-on and -off effect, nanoclusters material interdisciplinary

15 Jun 2025