双金属硫化物改善LiAlH<sub>4</sub>储氢性能研究

doi:10.11896/cldb.25040181

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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.

Key words： bimetallic sulfide hydrogen storage material thermodynamics kinetics

Received: 10 May 2026 Published: Online: 2026-05-18

CLC number:

TK91

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	Articles by authors
	QIN Lina
	OUYANG Jie
	SUN Lixian
	XU Fen

Cite this article:

QIN Lina,OUYANG Jie,SUN Lixian, et al. Improved Hydrogen Storage Performance of LiAlH₄ by Bimetallic Sulfides[J]. Materials Reports, 2026, 40(9): 25040181-6.

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https://www.mater-rep.com/EN/10.11896/cldb.25040181 OR https://www.mater-rep.com/EN/Y2026/V40/I9/25040181

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