Previous studies have indicated the potential of monometallic-modified TiO₂ catalysts in controlling nitrogen oxide (NO_x) and volatile organic compounds (VOCs) in coal-fired flue gas. Unfortunately, increasing selective catalytic reduction (SCR) activity under complicated coal-fired flue gas status is tricky. In this study, modified Co-MoWTiO₂ catalysts with multiple active sites were synthesized using the wet impregnation method, which exhibited excellent multi-pollution control ability of NO, benzene and toluene under low oxygen and high SO₂ concentrations. The modification of Mo and Co achieved high dispersion and electron transfer. The interaction between W⁵⁺/W⁶⁺ and Co²⁺/Co³⁺ promoted gas-phase O₂ adsorption on the catalyst surface, forming of reactive oxygen species (O_α). Density functional theory (DFT) calculations informed that the doping of Co effectively enhanced the NH₃ and O₂ adsorption capacity of the catalyst, and Co possessed the maximum adsorption energy for NH₃ and O₂. Possible pathways of multi-pollution control of NO, C₆H₆, and C₇H₈ were speculated. NH₃/NH₄⁺ on the Lewis/Bronsted acid site is reacted with intermediates of NO (e.g., NO₂, nitrite, nitrate) via the Langmuir-Hinshelwood and Eley-Rideal mechanism. The introduction of NO and NH₃ did not disrupt the oxidation pathways of benzene and toluene. Following the Mars-van Krevelen mechanism, C₆H₆ and C₇H₈ were progressively mineralized by O_α into CO₂ and H₂O.

先前的研究表明单金属改性TiO ₂催化剂在控制燃煤烟气中的氮氧化物(NO _x )和挥发性有机化合物(VOC)方面具有潜力。不幸的是，在复杂的燃煤烟气状态下提高选择性催化还原（SCR）活性是很棘手的。本研究采用湿法浸渍法合成了具有多活性位点的改性Co-MoWTiO ₂催化剂，该催化剂在低氧和高SO ₂浓度下表现出优异的NO、苯和甲苯多重污染控制能力。 Mo和Co的改性实现了高分散性和电子转移。 W ⁵⁺ /W ⁶⁺与Co ²⁺ /Co ³⁺之间的相互作用促进了催化剂表面气相O _{2 的}吸附，形成活性氧(O _α )。密度泛函理论(DFT)计算表明，Co的掺杂有效增强了催化剂对NH ₃和O ₂的吸附能力，并且Co对NH ₃和O ₂具有最大的吸附能。推测了NO、C ₆ H ₆和C ₇ H ₈多重污染控制的可能途径。 Lewis/Bronsted酸位上的NH ₃ /NH ₄ ⁺通过Langmuir-Hinshelwood和Eley-Rideal机理与NO中间体(例如NO ₂ 、亚硝酸盐、硝酸盐)反应。 NO和NH ₃的引入没有破坏苯和甲苯的氧化途径。 按照Mars-van Krevelen机制，C ₆ H ₆和C ₇ H ₈逐渐被O _α矿化成CO ₂和H ₂ O。