The development of hydrogen energy is hindered by the lack of high-efficiency hydrogen storage materials. To explore new high-capacity hydrogen storage alloys, reversible hydrogen storage in AB₂-type alloy is realized by using A or B-side elemental substitution. The substitution of small atomic-radius element Zr and Mg on A-side of YNi₂ and partial substitution of large atomic-radius element V on B-side of YNi₂ alloy was investigated in this study. The obtained ZrMgNi₄, ZrMgNi₃V, and ZrMgNi₂V₂ alloys remained single Laves phase structure at as-annealed, hydrogenated and dehydrogenated states, indicating that the hydrogen-induced amorphization and disproportionation was eliminated. From ZrMgNi₄ to ZrMgNi₂V₂ with the increase of the degree of vanadium substitution, the reversible hydrogen storage capacity increased from 0.6 ​wt% (0.35H/M) to 1.8 ​wt% (1.0H/M), meanwhile the lattice stability gradually increased. The ZrMgNi₂V₂ alloy could absorb 1.8 ​wt% hydrogen in about 2 ​h ​at 300 ​K under 4 ​MPa H₂ pressure and reversibly desorb the absorbed hydrogen in approximately 30 ​min ​at 473 ​K without complicated activation process. The prominent properties of ZrMgNi₂V₂ elucidate its high potential for hydrogen storage application.

缺乏高效的储氢材料阻碍了氢能的发展。为了探索新的高容量储氢合金，通过使用A或B侧元素取代实现AB ₂型合金中的可逆储氢。小原子半径元件Zr和Mg对YNI的A侧置换₂和大的原子半径单元V的部分取代上YNI的B侧₂合金在本研究中进行了研究。所获得的ZrMgNi ₄，ZrMgNi ₃ V和ZrMgNi ₂ V ₂合金在退火，氢化和脱氢状态下保持单一的Laves相结构，表明消除了氢诱导的非晶化和歧化。从ZrMgNi ₄到ZrMgNi ₂ V ₂随着钒取代度的增加，可逆储氢容量从0.6重量％（0.35H / M）增加到1.8重量％（1.0H / M），同时晶格稳定性逐渐提高。ZrMgNi ₂ V ₂合金可在4 MPa H ₂压力下于300 K下约2 h吸收1.8 wt％的氢，并在473 K下约30 min可逆地解吸所吸收的氢，而无需复杂的活化过程。ZrMgNi的突出特性₂ V ₂阐明了其在储氢应用中的高潜力。