-SR removal or -R removal? A mechanistic revisit on the puzzle of ligand etching of Au₂₅(SR)₁₈ nanoclusters during electrocatalysis.

ABSTRACT: Accurate identification of active sites is highly desirable for elucidation of the reaction mechanism and development of efficient catalysts. Despite the promising catalytic performance of thiolated metal nanoclusters (NCs), their actual catalytic sites remain elusive. Traditional first-principles calculations and experimental observations suggested dealkylated S and dethiolated metal, respectively, to be the active centers. However, the real kinetic origin of thiolate etching during the electrocatalysis of NCs is still puzzling. Herein, we conducted advanced first-principles calculations and electrochemical/spectroscopic experiments to unravel the electrochemical etching kinetics of thiolate ligands in prototype Au₂₅(SCH₃)₁₈ NC. The electrochemical process

SUBMITTER: Sun F 

PROVIDER: S-EPMC10548520 | biostudies-literature | 2023 Oct

REPOSITORIES: biostudies-literature