The catalytic NO removal efficiencies of MnFeO_x/SiO₂ catalysts with different Fe/Si were compared and studied. The reaction pathway analysis of NH₃-SCR on the surface of MnFeO_x/SiO₂ catalyst was performed based on DFT calculations. The experimental results of catalytic activity show that the addition of an appropriate amount of iron oxide has significant improvement for the NO conversion from 240 °C to 330 °C and the N₂ selectivity from 150 °C to 330 °C. The XRD test also shows that the addition of iron oxide can greatly improve the dispersion of MnO₂. In addition, DFT calculations indicate that the main process of N₂ formation is the NH₂NO decomposition and N-NO reaction. The N-NO reaction to form N₂ is a unique reaction pathway possessed by MnFeO_x/SiO₂, which is the main reason for the high NO conversion and good N₂ selectivity of MnFeO_x/SiO₂ catalyst and shows good synergy between manganese oxide and iron oxide.

比较和研究了不同Fe / Si条件下MnFeO _x / SiO ₂催化剂的催化NO去除效率。基于DFT计算，对MnFeO _x / SiO ₂催化剂表面的NH ₃ -SCR反应路径进行了分析。催化活性的实验结果表明，添加适量的氧化铁对于从240°C到330°C的NO转化率和从150°C到330°C的N ₂选择性具有明显的改善。XRD测试还表明，添加氧化铁可以大大改善MnO ₂的分散性。另外，DFT计算表明N ₂的主要过程形成的是NH ₂ NO分解和N-NO反应。N-NO生成N ₂的反应是MnFeO _x / SiO ₂所具有的独特反应途径，这是MnFeO _x / SiO ₂催化剂具有较高的NO转化率和良好的N ₂选择性的主要原因，并且在锰之间表现出良好的协同作用。氧化物和氧化铁。