Synthesis of cobalt single atom catalyst by a solid-state transformation strategy for direct C−C cross-coupling of primary and secondary alcohols

Atomic engineering of single atom catalysts (SACs) with high-density available active sites and optimized electronic properties can substantially boost catalytic efficacy. Herein, we report a solid-state transformation strategy to access Co SACs by introducing Co species from commercial Co₂O₃ powders into nitrogen-doped carbon support. The catalyst exhibited excellent catalytic activity, with a turnover frequency (TOF) of 2,307 h⁻¹ and yield of 95%, in the direct C−C cross-coupling of benzyl alcohol and 1-phenylethanol (1 atm O₂@80 °C) to yield chalcone. Density functional theory (DFT) calculations demonstrate the coordination environment and electronic metal–support interaction impact the catalytic pathway. In particular, a wide substrate scope and a broad functional-group tolerance of this SAC were validated, and the employment of this strategy for large-scale synthesis was also shown to be feasible. This work might shed light on the facile and scalable synthesis of highly active, selective, and stable SACs for heterogeneous catalysis.