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.