Han, Sung Ju Ramadhani, Safira Ha, Taejun Kim, Eun-Young Baek, Ju-hyun Jeong, Dakyung Park, Gaeun Kim, Jinwoo Lee, Young-Su Shim, Jae-Hyeok Cho, Young Whan Kim, Yongmin Jeong, Hyangsoo Han, Heung Nam Suh, Jin-Yoo 2025-09-17T02:02:41Z 2025-09-17T02:02:41Z 2025-09-16 2025-09 0360-3199 https://pubs.kist.re.kr/handle/201004/153171 In this study, we demonstrate that LaNi5 metal hydride serves both as a hydrogen reservoir and an effective catalyst for the hydrogenation of toluene to methylcyclohexane (MCH). Hydrogenation reactions were performed at 348–393 K under 3 MPa hydrogen pressure, achieving a conversion rate of 99.9 % at temperatures exceeding 383 K. Pressure-Composition-Temperature (PCT) measurements revealed that LaNi5 undergoes dehydrogenation under these conditions, releasing stored atomic hydrogen to promote the hydrogenation reaction. Even below the dehydrogenation threshold, LaNi5 exhibited moderate catalytic activity, attributed to surface elemental nickel stabilized by lanthanum oxide species. Compared to pure nickel catalysts, LaNi5 showed superior performance across all tested temperatures, highlighting the synergistic role of its hydrogen storage capability and surface microstructure. These findings establish LaNi5 as a novel dual-functional material, simultaneously serving as a hydrogen storage material and an effective catalyst for liquid organic hydrogen carrier (LOHC). English Elsevier Dual functionality of LaNi5 metal hydride as a catalyst for toluene hydrogenation Article 10.1016/j.ijhydene.2025.150891 1 International Journal of Hydrogen Energy, v.167 International Journal of Hydrogen Energy 167 Y scie scopus 001562095100009 2-s2.0-105013166566 Chemistry, Physical Electrochemistry Energy & Fuels Chemistry Electrochemistry Energy & Fuels Article PT-RU CATALYSTS ELECTRONIC-STRUCTURE STORAGE STATIONARY ABSORPTION ACTIVATION OXIDATION ALLOY SIZE Hydrogen storage Liquid organic hydrogen carriers Metal hydride Metal hydride catalyst LaNi 5 Toluene hydrogenation