Preparation of electron-rich Fe-based catalyst via electronic structure regulation and its promotion to hydrodesulfurization of dibenzothiophene

In this work, the sulfur removal rates of CeO2-x modified Fe/FeZn catalysts are increased by 5 %-20 %, attributed to the electron-rich Fe species but not the variation of acidity. The main active phases of pure Fe-based and FeZn bimetallic catalysts are pyrrhotite (Fe1-xS) and ferroan sphalerite (FeZnS), respectively. The results of characterizations and DFT calculations show that strong electron-donating effect of CeO2-x on Fe species can promote the dispersion of Fe species and weaken the Fe-O and Fe-S/FeZn-S bonds, resulting in higher sulfidation degrees and more active sites of Fe/FeZn catalysts. Besides, weak Al - OH peaks caused by CeO2-x could also increase the sulfidation degrees of Fe/FeZn catalysts. Furthermore, HYD/DDS ratios of Fe-based catalysts are reduced by CeO2-x because of the electron-rich Fe species and decrease of Lewis acid sites. This promising work has great potential for the industrial application of environmentally friendly and economical Fe-based catalysts in HDS field.