Ligand-regulated copper nanoclusters: atomic-precision synthesis, structural evolution, and catalytic function in...

Area of Science:

• Coordination Chemistry
• Heterogeneous Catalysis
• Nanomaterials Science

Background:

• Atomically precise copper nanoclusters (Cu NCs) bridge coordination chemistry and heterogeneous catalysis.
• Copper's earth abundance and tunable ligand environments make Cu NCs attractive alternatives to noble-metal nanoclusters.
• Cu NCs serve as models for correlating atomic structure with catalytic function.

Purpose of the Study:

• To review recent advances in ligand-regulated Cu NCs.
• To focus on ligand-directed synthesis, atomic-scale structural evolution, and catalytic applications.
• To establish a ligand-structure-function framework for rational catalyst design.

Main Methods:

• Summarizing recent advances in ligand-regulated Cu NCs.
• Discussing ligand systems (phosphines, thiolates, alkynyls, calixarenes, chiral ligands) and their regulatory roles.
• Analyzing how ligand-defined structures influence catalytic performance in photocatalysis and electrocatalysis.

Main Results:

• Ligands regulate Cu NC nuclearity, surface coordination, electronic structure, and active-site accessibility.
• Ligand-defined structures significantly influence catalytic performance in CO2 reduction, C-C/C-N bond formation, oxygen reduction/evolution, hydrogen evolution, and nitrate reduction.
• A clear ligand-structure-function relationship is established for Cu NC catalysts.

Conclusions:

• Ligand coordination is crucial for controlling Cu NC formation, structural evolution, and catalytic behavior.
• Understanding these relationships guides the rational design of Cu NC catalysts.
• This framework promotes improved activity, selectivity, and stability in Cu NC catalysts.