Cu-26 Nanoclusters with Quintuple Ligand Shells for CO2 Electrocatalytic Reduction

Copper nanostructures represent an important class ofmaterialsin CO2 electrocatalytic reduction (CO2ER) reactions,but deciphering their molecular structures, especially those withmultiple and irregular organic-inorganic interfaces, remainsa grand challenge. Through comprehensive characterization of a 26-nucleicopper nanocluster of [Cu-26(DPPE)(3)(CF3CO2)(8)(CH3O)(2)((BuC)-Bu-t C)(4)H-11](+) (DPPE is 1,2-bis(diphenylphosphino)ethane),which is stabilized by quintuple ligand shells of phosphine, carboxylicacid, alcohol, alkynyl, and hydride, we demonstrate in this work theefficiency of hybrid ligands in controlling geometrical arrangements,electronic structures, and catalytic performance of copper nanoclusters.The diverse ligands in the cluster endow it with a peculiar geometricstructure and distinct electronic structure and, more importantly,a delicate surface structure. As a result, the cluster displays highperformance in CO2ER to CO reaction.

Automated summary

This article investigates the importance of copper nanostructures in CO2 electrocatalytic reduction (CO2ER) reactions and demonstrates the efficiency of hybrid ligands in controlling the geometrical arrangements, electronic structures, and catalytic performance of copper nanoclusters through comprehensive characterization of a 26-nuclei copper nanocluster.