Abstract
The adsorption of NO and NH3 gaseous molecules on Mn3O4/TiO2 catalysts is studied based on density function theory and the corresponding experiments for low-temperature SCR of NOx by ammonia. The SCR performances of the Mn3O4/TiO2 catalysts prepared by joint precipitation method were systematically carried out in the temperature range of 90–300°C. The results show that nitrogen oxide can first adsorb on the manganese-terminal to form nitrates species, and then NH3 are more inclined to adsorb on Brønsted acid sites. Bridging nitrate and bidentate nitrate can be turned into monodentate nitrates, and NH4+ was formed when there is ammonia and water molecules because the adsorption and dissociation of the water on the surface of the catalyst is the main source of hydroxyl groups. It is indicated that L-H mechanism plays a major role in NH3-SCR process.
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