Surface Site-Specific Replacement for Catalysis Selectivity Switching.

Surface atom replacement in materials without other composition/structure changes is challenging but is important for fundamental scientific research and for practical applications. In particular, for nanoparticles including nanoclusters, surface metal site-specific replacement with atomic precision has not yet been achieved. In this study, we for the first time achieved surface site-specific antigalvanic replacement with the remaining composition/structure and surface replacement-dependent selectivity in the electrocatalytic reduction of CO 2 . Density functional theory (DFT) calculations describe the catalysis selectivity switch induced by replacing Ag with Cu and explain why Cu replacement facilitates C 2 production. Also, CO 2 electroreduction to C 2 on well-defined metal nanoclusters is first reported in this study.