Oxygen Vacancy Engineering of Molybdenum Oxide Nanobelts by Fe Ion Intercalation for Aerobic Oxidative Desulfurization

Aerobic oxidative desulfurization (AODS) represents a sustainable way to deeply desulfurize transportation fuels through a high-performance catalyst to convert thiophenes into sulfones in an efficient way. Here, we report that iron (Fe) intercalated molybdenum oxides (MoOx) nanobelts can be a durable and robust catalyst for AODS, catalyzing the reaction efficiently at 80 °C with air as a sustainable oxygen source. By combining systematic characterization, kinetic analysis, and density functional theory calculation, we demonstrate that the guest Fe ions could precisely modulate the electronic structure of Mo sites, leading to a significant increase in surface oxygen vacancy density. An optimized doping amount enables our catalyst with excellent catalytic performance via thorough conversion of various sulfides. The catalyst maintained almost unchanged activity in repeated uses, qualifying it as a candidate for the sustainable AODS of fuel. We anticipate that the strategy demonstrated here will provide practical guidance on the rational design and optimization of Mo-based catalysts to promote aerobic oxidation reactions.