Water Activation Triggered by Cu−Co Double‐Atom Catalyst for Silane Oxidation

Abstract High‐performance catalysts sufficient to significantly reduce the energy barrier of water activation are crucial in facilitating reactions that are restricted by water dissociation. Herein we present a Cu−Co double‐atom catalyst (CuCo‐DAC), which possesses a uniform and well‐defined CuCoN 6 (OH) structure, and works together to promote water activation in silane oxidation. The catalyst achieves superior catalytic performance far exceeding that of single‐atom catalysts (SACs). Various functional silanes are converted into silanols with up to 98 % yield and 99 % selectivity. Kinetic studies show that the activation energy of silane oxidation by CuCo‐DAC is significantly lower than that of Cu single‐atom catalyst (Cu‐SAC) and Co single‐atom catalyst (Co‐SAC). Theoretical calculations demonstrate two different reaction pathways where water splitting is the rate‐determining step and it is accelerated by CuCo‐DAC, whereas H 2 formation is key for its single‐atom counterpart.