In this work, three novel catalysts were prepared by 2.5, 5.0, and 10.0 wt.% facile impregnation with an iron and molybdenum mixed oxide (Fe/Mo) on an aluminum pillared clay (Al-PILC) support. These materials were characterized by scanning electron microscopy/energy dispersive spectroscopy (SEM/EDS), X-ray diffraction (XRD), temperature programed reduction (TPR), and nitrogen (N2) physisorption at 77 K. Characterizations indicated that the metal particles were dispersed on the surface of the three catalysts, and the interlayer d001 spacing of the pillared material remained unchanged after the impregnation process. The catalytic tests showed good results for DBT oxidation using the synthesized catalysts, with high turnover frequency (TOF) values, particularly for the material with 5.0 wt.% Fe/Mo. Theoretical calculations were carried out at the density functional theory (DFT) level, to investigate how the DBT molecules were adsorbed onto the surface of the mixed oxide. The lowest energy proposal was obtained when both Fe and Mo were present at the active sites, indicating a possible synergistic effect of the metals on catalyst activity. Reuse tests indicated that the catalysts could be employed effectively for up to 3 cycles in a row, then a decrease in activity occurred and the active sites needed to be regenerated.

中文翻译：

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Al-PILC上负载的铁和钼混合氧化物，用于模拟柴油燃料中二苯并噻吩的催化氧化脱硫。

在这项工作中，通过在铝柱状粘土（Al-PILC）载体上用铁和钼的混合氧化物（Fe / Mo）轻松浸渍2.5、5.0和10.0 wt。％来制备三种新型催化剂。通过扫描电子显微镜/能量色散光谱（SEM / EDS），X射线衍射（XRD），程序升温还原（TPR）和氮（N2）在77 K下的物理吸附来表征这些材料。表征表明，金属颗粒为分散在三种催化剂的表面上，并且在浸渍过程后，柱状材料的层间d001间距保持不变。催化测试表明，使用合成的催化剂进行DBT氧化具有良好的结果，具有较高的周转频率（TOF）值，特别是对于含5.0 wt。％Fe / Mo的材料。在密度泛函理论（DFT）级别上进行了理论计算，以研究DBT分子如何吸附到混合氧化物的表面上。当Fe和Mo都存在于活性位点时，获得的能量最低，表明金属可能对催化剂活性产生协同作用。重复使用测试表明，该催化剂可连续有效使用多达3个循环，然后活性降低，活性位点需要再生。