Solid catalysts based on surface frustrated Lewis pairs (FLPs) are emerging materials for the activation of a variety of molecules, such as H, CO and N. In the prior works, the FLP sites are already formed in the starting catalysts and the acid and basic sites remain separated during the catalytic cycle. In this work, a new type of reactive site based on transient frustrated Lewis pairs (TFLPs) is proposed to explain the catalytic properties of single-atom Ce-doped α-FeO(001) surface for selective reduction of NO by NH. The TFLP sites are formed during the process of the activation of reactants (NH and NO), and will disappear due to the structural reconstruction at the end of the catalytic cycle. By combining the DFT calculations and experimental results, it is inferred that the TFLP sites account for the variation of the preferred reaction pathways on α-FeO(001) surface.

中文翻译：

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瞬态受阻路易斯对促进 Ce 掺杂 α-Fe2O3(0 0 1) 催化剂上 NOx 选择性还原

基于表面受阻路易斯对 (FLP) 的固体催化剂是用于活化各种分子（例如 H、CO 和 N）的新兴材料。在之前的工作中，FLP 位点已经在起始催化剂中形成，酸和催化循环期间碱性位点保持分离。在这项工作中，提出了一种基于瞬态受阻路易斯对（TFLP）的新型反应位点来解释单原子Ce掺杂的α-FeO​​（001）表面对NH选择性还原NO的催化性能。 TFLP位点是在反应物（NH和NO）活化过程中形成的，并在催化循环结束时由于结构重建而消失。通过结合DFT计算和实验结果，推断TFLP位点解释了α-FeO​​(001)表面上优选反应路径的变化。