Rapid Ozone Decomposition over Water‐activated Monolithic MoO₃/Graphdiyne Nanowalls under High Humidity

Abstract

Catalytic ozone (O3) decomposition at high relative humidity (RH) remains a great challenge due to the catalysts poison and deactivation under high humidity. Here, we firstly elaborate the role of water activation and the corresponding mechanism of the promoted O3 decomposition over the three‐dimensional monolithic molybdenum oxide/graphdiyne (MoO3/GDY) catalyst. The O3 decomposition over MoO3/GDY reaches up to 100% under high humid condition (75% RH) at room temperature, which is 4.0 times as high as that of dry conditions, significantly surpasses other carbon‐based MoO3 materials(≤ 7.1%). The sp‐hybridized carbon in GDY donates electrons to MoO3 along the C‐O‐Mo bond, facilitating water activation to form hydroxyl species. As a result, hydroxyl species dissociated from water act as new active sites, promoting the adsorption of O3 and the generation of new intermediate species (hydroxyl ⋅OH and superoxo ⋅O2−), which significantly lowers the energy barriers of O3 decomposition (0.57 eV lower than dry conditions).