Central Doping of a Foreign Atom into the Silver Cluster for Catalytic Conversion of CO2 toward C−C Bond Formation

Abstract Clusters with an exact number of atoms are of particular interest in catalysis. Their catalytic behaviors can be potentially altered with the addition or removal of a single atom. Now the effects of doping with a single foreign atom (Au, Pd, and Pt) into the core of an Ag cluster with 25 atoms on the catalytic properties are explored, where the foreign atom is protected by 24 Ag atoms (Au@Ag 24 , Pd@Ag 24 , and Pt@Ag 24 ). The central doping of a single atom into the Ag 25 cluster has a substantial influence on the catalytic performance in the carboxylation reaction of CO 2 with terminal alkyne through C−C bond formation to produce propiolic acid. These studies reveal that the catalytic properties of the cluster catalysts can be dramatically changed with the subtle alteration by a single atom away from the active sites.