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

Catalytic ozone (O-3) 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 O-3 decomposition over the three-dimensional monolithic molybdenum oxide/graphdiyne (MoO3/ GDY) catalyst. The O-3 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 O-3 and the generation of new intermediate species (hydroxyl *OH and superoxo *O-2(-)), which significantly lowers the energy barriers of O-3 decomposition (0.57 eV lower than dry conditions).

Automated summary

In this study, the role of water activation and the mechanism of promoted O-3 decomposition over MoO3/GDY catalyst were elaborated. It was found that MoO3/GDY achieved 100% O-3 decomposition under high humid conditions (75% RH) at room temperature, which was 4.0 times higher than that under dry conditions, surpassing other carbon-based MoO3 materials (<= 7.1%). The sp-hybridized carbon in GDY donated electrons to MoO3, facilitating water activation and leading to the generation of new active sites that promoted O-3 adsorption and the formation of intermediate species.