High-efficiency PdNi single-atom alloy catalyst toward cross-coupling reaction

The preparation of Pd-based catalysts with rich electrons and a high atom dispersion rate is of great significance for improving the reactivity of cross-coupling reactions, which is a powerful tool for pharmaceutical and fine chemical synthesis. Here, we report a PdNi single-atom alloy (SAA) catalyst in which isolated Pd single atoms are anchored onto the surface of Ni nanoparticles (NPs) applied for Suzuki coupling reactions and Heck coupling reactions. The 0.1% PdNi SAA exhibits extraordinary catalytic activity (reaction rate: 17032.25 mmol h−1 gPd−1) toward the Suzuki cross-coupling reaction between 4-bromoanisole and phenylboronic acid at 80°C for 1 h. The excellent activity is supposed to attribute to the 100 percent utilization rate of Pd atoms and the highly stable surface zero-valance Pd atoms, which provides abundant sites and electrons for the adsorption and fracture of the C-X (X = Cl, Br, I) bond. Moreover, our work demonstrates the excellent application prospect of SAAs for cross-coupling reactions.