Intrinsic Reactivity and Competitive Ligand Binding at an Isolated Cu+ Site: Implications for Single-Atom CO Oxidation

Key Points

• To analyze the intrinsic reactivity and competitive ligand binding of isolated Cu+ sites for single-atom catalysis.
• Utilized laser-vaporization high-pressure mass spectrometry to investigate isolated metal centers.
• Employed density functional theory for computational analysis of reactivity and binding phenomena.
• Identified key parameters influencing reactivity at isolated Cu+ sites.
• Demonstrated competitive ligand binding effects that could impact single-atom catalysis efficiency.