Dual Active Centers Bridged by Oxygen Vacancies of Ruthenium Single‐Atom Hybrids Supported on Molybdenum Oxide for Photocatalytic Ammonia Synthesis

Abstract Photocatalytic synthesis of ammonia (NH 3 ) holds significant potential compared with the Haber–Bosch process. However, the reported photocatalysts suffer from low efficiency owing to localized electron deficiency. Herein, Ru‐SA (single atoms)/H x MoO 3− y hybrids with abundant of Mo n + (4< n <6) species neighboring oxygen vacancies (O V ) are synthesized via a H‐spillover process. Detailed characterizations demonstrate that Ru‐SA/H x MoO 3− y hybrids can quantitatively produce NH 3 from N 2 and H 2 through the presence of dual active centers (Ru SA and Mo n + ). The Ru SA boost the activation and migration of H 2 , and Mo n + species act as the trapping sites of localized electrons and the adsorption and dissociation sites of N 2 , finally leading to NH 3 synthesis on Mo n + −OH. The NH 3 generation rate is up to 4.0 mmol h −1 g −1 , accompanied by an apparent quantum efficiency over 6.0 % at 650 nm.