Improving the Catalytic Activity of Au25 Nanocluster by Peeling and Doping

Tuning the nanoclusters’ compositions and structures is critical for the performance improvement of nanoclusters. Herein, a well‐known Au 25 ( SCH 2 CH 2 Ph ) 18 (Au 25 for short) nanocluster has been transformed to a rare cadmium doped gold nanocluster [ Au 13 Cd 2 ( PPh 3 ) 6 ( SC 2 H 4 Ph ) 6 ( NO 3 ) 2 ] 2 Cd ( NO 3 ) 4 ( Au 26 Cd 5 for short) by peeling and doping. Although Au 25 exhibits no catalytic activity toward A 3 ‐coupling reaction under the investigated conditions, the novel cadmium doped gold nanocluster Au 26 Cd 5 shows high catalytic activity, as well as good recyclability and substrate tolerance for the same reaction. The high catalytic activity is attributed to the cooperation between the exerted cadmium atoms and the neighbor gold atoms on the surface of Au 13 icosahedron. This work has important implication for the tuning of nanoclusters’ compositions and structures targeting the improvement of catalytic performance by some unusual but effective strategies.