Superior Oxidative Dehydrogenation Performance toward NH3 Determines the Excellent Low-Temperature NH3-SCR Activity of Mn-Based Catalysts

• DOI: 10.1021/acs.est.0c08214
• Publication Date: 2021-03-08T15:22:54Z
• Authors: Guangzhi He; Meng Gao; Yue Peng; Yunbo Yu; Wenpo Shan; Hong He
• Keywords: Selective catalytic reduction; Limiting

Mn-based oxides exhibit outstanding low-temperature activity for the selective catalytic reduction of NOx with NH3 (NH3-SCR) compared other catalysts. However, underlying principle responsible excellent is not yet clear. Here, atomic-level mechanism and activity-limiting factor in NH3-SCR process over Mn-, Fe-, Ce-based oxide catalysts are elucidated by a combination first-principles calculations experimental measurements. We found that superior oxidative dehydrogenation performance toward reduces energy barriers activation formation key intermediate NH2NO, which rate-determining step these The findings this study advance understanding working SCR provide fundamental basis development future generation activity.