Atomically Dispersed Pt–Sn Nanocluster Catalysts for Enhanced Toluene Hydrogenation in LOHC Systems

Liquid organic hydrogen carriers (LOHCs) are promising materials for safe, reversible, and high-density hydrogen storage. Atomically dispersed bimetallic Pt–Sn nanocluster catalysts supported on TiO2 (Pt–Sn/TiO2) were developed to enhance the hydrogenation step in the toluene-methylcyclohexane cycle, a model LOHC system. Compared with monometallic Pt/TiO2 and Sn/TiO2, Pt–Sn/TiO2 exhibited superior hydrogenation performance. Mechanistic studies, including X-ray photoelectron spectroscopy, kinetic analysis, and H2-D2 exchange experiments, revealed that Sn incorporation modulates the electronic structure of Pt, enhancing H2 activation and spillover. These findings provide insights into the rational design of atomically dispersed bimetallic nanocluster catalysts for efficient and durable hydrogen storage in LOHC-based systems.