The Dual Single-Atom in and P Co-Promoters Boost Dimethyldichlorosilane Production in the Rochow-Müller Reaction

Investigating novel promoters and comprehending their roles is an important yet difficult task. In this study, we have introduced dual main-group single-atom In and P as co-promoters into the CuO surface lattice (In-P/CuO) via a straightforward hydrothermal CuO synthesis followed by impregnation. The In-P/CuO catalyst showed superior catalytic performance in dimethyldichlorosilane selectivity and yield to that of the pristine CuO and CuO with a single promoter in the important industrial Rochow-Müller reaction. The combination of thorough experimental characterization and density functional theory calculations reveals that the electron interaction between dual In and P promoters could optimize the local electronic structure of CuO and facilitate MeCl dissociation on the CuO surface, accelerating the transformation of CuO to Cu2O, then CuCl, and eventually the active phase Cu3Si and thereby enhancing overall activity. This work examines the synergistic interactions between dual main-group single-atom promoters in catalysts, offering a proven method for designing highly efficient catalysts.