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<p>Copper nanoclusters are attractive low-cost candidates for catalysis, yet their practical development has long been limited by the intrinsic instability of Cu(0)-containing species. In a recent <i>Journal of the American Chemical Society</i> study, Wang and co-workers report a landmark advance: the first 6-electron superatomic copper nanocluster, [Cu<sub>45</sub>H<sub>6</sub>(C≡CR)<sub>18</sub>(OAc)<sub>15</sub>] (Cu<sub>45</sub>, OAC = OOCH<sub>3</sub>), which exhibits unusual chemical and thermal robustness. Single-crystal X-ray diffraction and density functional theory calculations link this robustness to a closed-shell superatomic configuration (1S<sup>2</sup>1P<sup>4</sup>) and strengthened copper–ligand interactions, aided by a rigid protective shell. Remarkably, this ultrastable and structurally precise Cu superatom also serves as a well-defined electrocatalyst for electrocatalytic CO<sub>2</sub> reduction reactions (eCO<sub>2</sub>RR) toward CO<sub>2</sub>-to-C<sub>2</sub>H<sub>4</sub> conversion, delivering high C<sub>2+</sub> selectivity and enabling mechanistic interrogation of C–C coupling on a molecularly defined Cu(I)/Cu(0) interface. Cu<sub>45</sub> reaches a peak faradaic efficiency (FE) for C<sub>2+</sub> of 81.8% (FE<sub>C2H4</sub> = 58.4%) at − 1.6 V<sub>RHE</sub> and sustains activity for ~ 11&#xa0;h. This work establishes design principles for robust copper superatoms and opens new opportunities for cluster-enabled CO<sub>2</sub> valorization.</p> Graphical abstract <p>An atomically precise 6-electron Cu<sub>45</sub> superatomic nanocluster with exceptional stability and Faradaic efficiency exceeding 80% for CO<sub>2</sub>-to-C<sub>2+</sub> conversion, offering a novel platform for electrocatalysis.</p> <p></p>

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Ultrastable copper superatom for CO2-to-C2+ electrocatalysis enabled by electronic and ligand-shell stabilization

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2026年6月25日

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  • Jihong Xu,
  • Along Ma,
  • Zhengmao Yin

摘要

Copper nanoclusters are attractive low-cost candidates for catalysis, yet their practical development has long been limited by the intrinsic instability of Cu(0)-containing species. In a recent Journal of the American Chemical Society study, Wang and co-workers report a landmark advance: the first 6-electron superatomic copper nanocluster, [Cu45H6(C≡CR)18(OAc)15] (Cu45, OAC = OOCH3), which exhibits unusual chemical and thermal robustness. Single-crystal X-ray diffraction and density functional theory calculations link this robustness to a closed-shell superatomic configuration (1S21P4) and strengthened copper–ligand interactions, aided by a rigid protective shell. Remarkably, this ultrastable and structurally precise Cu superatom also serves as a well-defined electrocatalyst for electrocatalytic CO2 reduction reactions (eCO2RR) toward CO2-to-C2H4 conversion, delivering high C2+ selectivity and enabling mechanistic interrogation of C–C coupling on a molecularly defined Cu(I)/Cu(0) interface. Cu45 reaches a peak faradaic efficiency (FE) for C2+ of 81.8% (FEC2H4 = 58.4%) at − 1.6 VRHE and sustains activity for ~ 11 h. This work establishes design principles for robust copper superatoms and opens new opportunities for cluster-enabled CO2 valorization.

Graphical abstract

An atomically precise 6-electron Cu45 superatomic nanocluster with exceptional stability and Faradaic efficiency exceeding 80% for CO2-to-C2+ conversion, offering a novel platform for electrocatalysis.