RM₃ compounds (R = rare earth metals, M = transition metals) have rarely been studied for gaseous hydrogen storage applications because of unfavorable thermodynamics. In this work, the hydrogen storage properties of a single-phase YFe₃ alloy were improved by non-stoichiometric composition and alloying with Sc and Zr. Only the Y_1.1–ySc_yFe₃ (y = 0.22, 0.33) alloys consist of a single rhombohedral phase. The Sc substitution for Y leads to the reduction in the unit cell volume of the YFe₃ phase, and thus significantly increases the dehydriding equilibrium pressure and decreases the dehydrogenation temperature. The alloy Y_0.77Sc_0.33Fe₃ delivers a decomposition enthalpy change of 33.54 kJ/mol and a lowest dehydrogenation temperature of 135 °C, in comparison with 38.99 kJ/mol and 165 °C for the alloy Y_1.1Fe₃. The Zr substitution causes a similar thermodynamic destabilization effect, but the composition and microstructure of Y–Zr–Fe alloys need to be further optimized.

由于不利的热力学， RM ₃化合物（R = 稀土金属，M = 过渡金属）很少被研究用于气态储氢应用。_{在这项工作中，单相 YFe 3}合金的储氢性能通过非化学计量组成和与 Sc 和 Zr 合金化得到改善。只有 Y _{1.1– y} Sc _y Fe ₃ ( y  = 0.22, 0.33) 合金由单一的菱面体相组成。_{Sc取代Y导致YFe 3}相的晶胞体积减小，从而显着增加脱氢平衡压力并降低脱氢温度。合金 Y _{0.77与合金 Y 1.1} Fe ₃的 38.99 kJ/mol 和 165 °C 相比， Sc _0.33 Fe ₃的分解焓变化为 33.54 kJ/mol，最低脱氢温度为 135 °C 。Zr 替代会引起类似的热力学不稳定效应，但 Y-Zr-Fe 合金的成分和微观结构需要进一步优化。