Enhanced Catalytic Activity of High-Index Faceted Palladium Nanoparticles in Suzuki–Miyaura Coupling Due to Efficient Leaching Mechanism

The structure–property relationship of palladium (Pd) catalysts in Suzuki–Miyaura cross-coupling reactions was investigated using Pd nanocrystals of uniform size and shape. Superior catalytic reactivity was observed for Pd nanoparticles with high-index {730} surface facets compared to low-index {100} facets. Although the nanocrystal morphologies were maintained during the reaction, the presence of Pd clusters, identified by high-resolution transmission electron microscopy (TEM), indicates a leaching mechanism. The nature of the surface facets on the nanoparticles was observed to influence the rate of Pd leaching during the Suzuki coupling reaction. The enhanced reactivity observed for the high-index facet catalysts stems from the greater number of leachable atoms of low abstraction energy available on high-index planes