Improved Hydrogen Storage Performance of LiAlH4 by Bimetallic Sulfides
QIN Lina, OUYANG Jie, SUN Lixian*, XU Fen*
Guangxi Key Laboratory of Information Materials & Guangxi Collaborative Innovation Center for Structure and Properties for New Energy and Materials, School of Material Science and Engineering, Guilin University of Electronic Technology, Guilin 541004, Guangxi, China
Abstract: In recent years, transition metals have attracted considerable attention due to their outstanding catalytic activity and selectivity in various chemical reactions. Concurrently, sulfur, as an electroactive species, has demonstrated the capability to modulate the equilibrium position of the Fermi level, thereby facilitating the regulation of hydrogen release kinetics. Motivated by these considerations, this study conducted a comprehensive investigation into the crystal structure and microstructural characteristics of FeNi2S4, with a particular focus on its influence on the hydrogen storage performance of LiAlH4. Experimental results revealed that the incorporation of 3% FeNi2S4 into LiAlH4 yielded the most favorable dehydrogenation performance. Specifically, the modified sample released 4.00% of hydrogen within 10 minutes at 150 ℃. Compared to pristine LiAlH4, the activation energies for the first and second dehydrogenation steps were reduced by 53% and 65%, respectively. Under the catalytic influence of 3% FeNi2S4, the onset dehydrogenation temperature of LiAlH4 was significantly lowered to 65.2 ℃, indicating a substantial enhancement in its hydrogen release capability. The findings suggest that the integration of iron-based bimetallic compounds and sulfides as electroactive components during the dehydrogenation process introduces defect states in the sulfide phase, which in turn generate localized electronic states that promote interfacial charge transfer in LiAlH4. The surface-active sites and electronic structure of FeNi2S4 play a pivotal role in this mechanism. By adsorbing hydrogen and aluminum ions from LiAlH4, FeNi2S4 effectively reduces the binding energy of hydrogen-related bonds, thereby facilitating hydrogen desorption.
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2026, Vol. 40 
