Effects of ligand tuning and core doping of atomically precise copper nanoclusters on CO2 electroreduction selectivity

Key Words:METAL NANOCLUSTERS; SITES

Abstract:Atomically precise nanoclusters (NCs) provide opportunities for correlating the structure and electrocatalytic properties at atomic level. Herein, we report the single-atom doping effect and ligand effect on CO2 electroreduction (eCO(2)RR) by comparing monogold-doped Au1Cu24 and homocopper Cu-25 NCs protected by triphenylphosphine or/and tris(4-fluorophenyl)phosphine. Catalytic results revealed that the electronic distribution of Cu-25 NCs is enormously contracted by doping Au atoms, entitling it to exhibit the unique inhibition of hydrogen evolution reaction. And the inductive effect of ligand strongly favors the formation of formate in eCO(2)RR. Overall, this work will provide guidance for the rational design of the copper-based catalysts in the eCO(2)RR. Tuning the metal core and ligand environment of atomically precise nanoclusters enables the correlation of structural and electrocatalytic properties at an atomic level. Here, single-atom doping and ligand tuning of atomically precise copper clusters is shown to be an effective route to tuning CO2 electroreduction activity and selectivity.

Volume:5

Issue:1

Translation or Not:no