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8224341 
Journal Article 
Low-temperature removal of aromatics pollutants via surface labile oxygen over Mn-based mullite catalyst SmMn2O5 
Wan, X; Wang, Li; Gao, S; Lang, X; Wang, L; Zhang, T; Dong, A; Wang, W; , 
2021 
Yes 
Chemical Engineering Journal
ISSN: 1385-8947 
ELSEVIER SCIENCE SA 
LAUSANNE 
410 
128305 
English 
WOS:000621198800001 
The development of high efficient oxide catalyst is crucial to remove the aromatics pollutants. Herein, we propose a ternary mullite SmMn2O5 to catalytically oxidize benzene and toluene at a low temperature. Through a joint exploration of experimental characterizations and density functional theory calculations, the active species on the surface of the material are accessed. In the presence of the two-coordinated surface labile oxygen (O-lab), the hydrothermal-synthesized mullite achieves a remarkable deep oxidation performance with T-90 at 223 degrees C (benzene) and 228 degrees C (toluene), superior to most reported oxide catalysts. Simultaneously, SmMn2O5 displays no deactivation after 150 h reactions with repeating water vapor. Combining in situ DRIFTS and DFT calculations, the dissociation of maleic anhydride into acetic anhydride species on O-lab active sites turns out to be the rate-controlled step with a calculated kinetic barrier of 1.253 eV. These findings of O-lab allow to understand the catalytic oxidation of metal oxides at the atomic level and are thus imperative for the catalyst development. 
Aromatics oxidation; Density functional theory; Labile oxygen; Mullite oxide