Promising Liquid Organic Hydrogen Carrier: <i>cis</i>-<i>Perhydro</i>-1-(<i>n</i>-phenylethyl)naphthalene with High H₂ Capacity and Improved H₂ Release Performance through Controlled Diastereomers Compositions

Liquid organic hydrogen carrier (LOHC) technology makes it possible to safely and easily store and transport hydrogen in large quantities for extended periods of time. To improve the efficiency of hydrogen supply via LOHC, there is a growing need for new LOHCs that exhibit high hydrogen storage capacity per unit volume and weight, efficient hydrogen release, low melting points for easy transport, and high boiling points for simplifying hydrogen purification, as well as cost-effective and large-scale production. Herein, we propose a promising LOHC candidate, 1-(n-phenylethyl)naphthalene (PEN), which has a high hydrogen storage capacity (60.8 kgH2·m–3), superior physical properties (wide liquid range, from −21 to 350 °C), and mass-produced compounds at low cost. PEN exhibited reversible hydrogen storage and release performance in consecutive cycles. Furthermore, we suggest an effective way to increase dehydrogenation performance by controlling the composition of stereoisomers generated during hydrogenation.