Abstract
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 Y1.1–yScyFe3 (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 Y0.77Sc0.33Fe3 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 Y1.1Fe3. The Zr substitution causes a similar thermodynamic destabilization effect, but the composition and microstructure of Y–Zr–Fe alloys need to be further optimized.
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