Single copper sites dispersed on metal-organic frameworks boost the degradation of nerve agent simulants

The detoxification of nerve agents, a class extremely toxic chemical warfare is urgently needed because they have remained threat to humanity. To date, zirconium-based metal-organic frameworks (Zr-MOFs) are the most popular catalysts in this realm. However, it still essential develop new and efficient based on Zr-MOFs achieve more rapid hydrolysis. Herein, we report that single-atom catalyst (SAC) with Cu single atoms UiO-66-NH2 support (Cu@UiO-66-NH2) could significantly boost degradation agent simulant. Compared pristine UiO-66-NH2, SAC exhibited remarkable catalytic activity half-life for hydrolysis ∼2 min better reusability cyclic experiments. Both experimental theoretical studies suggest atomically dispersed species anchored amino groups rather than Zr6 node acted as active sites, leading favorable binding geometries substrate product. A mechanism different from generally considered was thus presented elucidate enhanced efficiency.