Effect of Cu/Au for propylene epoxidation over the Ag2O(111) surface: a DFT study

On the Cu–Ag 2 O(111) surface, the O suf site exhibited the lowest basicity, favoring the OMMP route, and PO selectivity can be enhanced slightly. Conversely, on the Au–Ag 2 O(111) surface, the O suf site had stronger basicity, favoring the AHS route.