Unlocking the Potential of Metal–Organic Frameworks for Adsorptive Desulfurization of Fuels: Insights into Structure, Mechanism, and Performance

Adsorptive desulfurization (ADS) has become a viable approach for fuel purification due to its ability to operate under mild conditions, without the need for hazardous chemicals or additives like hydrogen. This process is particularly effective in removing sulfur compounds, including the challenging thiophene derivatives that are difficult to eliminate through traditional hydrodesulfurization (HDS). Among the various adsorbents, Metal–organic frameworks (MOFs) have gained significant attention for their exceptional performance in deep desulfurization. Recent studies indicate that the adsorption capacity and selectivity of MOFs can be further enhanced through surface functionalization, allowing sulfur containing compounds to diffuse into the framework’s pores and be adsorbed via mechanisms such as π-complexation and acid–base interactions. These advancements in MOF-based ADS suggest a promising path for their industrial application. However, to overcome current limitations and further improve performance, continued research into isoreticular MOFs with bulky linkers and the development of composite materials is crucial for optimizing their efficiency and scalability in real-world applications.