Impact of Heterocore Atoms on CO 2 Electroreduction in Atomically Precise Silver Nanoclusters

Understanding the effect of internal atoms in metal nanoparticles on heterogeneous catalytic processes is crucial for achieving high activity and selectivity. This requires meticulous synthetic control over the size, composition, and atomic arrangement of nanoparticles. Here, we report the design of ligand-exchange-induced structure transformation and nanomolecule-templated atomic-level galvanic exchange strategies to synthesize PtAg 24 (IPBT) 18 (denoted as PtAg 24 ) and AuAg 24 (IPBT) 18 (denoted as AuAg 24 ) nanoclusters (NCs). Both NCs exhibit identical total metal atom and ligand (IPBT: 2-isopropylbenzenethiolate) counts, as well as atomic-level structure, except for the difference in the core atom (Pt and Au). Using these model NCs, we uncover the impact of heterocore atoms on the electrochemical CO 2 reduction reaction (eCO 2 RR) activity and selectivity. The central Pt atom in Pt…