Design, Synthesis, and Characterization of Al‐Containing Multicomponent Alloys for Hydrogen Storage and Compression

Abstract In this paper, compositions within the TiZrAlCrMn, TiZrAlCrFe, and TiZrAlMnFe alloy systems that form the C14 Laves phase are investigated. The design, synthesis, structural, and hydrogen storage characterizations for an equiatomic and a non‐equiatomic composition for each alloy system are presented. Additionally, the further development of a thermodynamic method for the calculation of pressure‐composition‐isotherms (PCIs) is presented of C14 Laves phase alloys that absorb hydrogen by solid solution. Overall, the results shown in this paper indicate that Al‐containing multicomponent alloys can present promising hydrogen storage performance under high pressures. Nonetheless, high concentrations of aluminum in highly concentrated (equiatomic) alloys can have a negative impact on the hydrogenation properties. The Ti 0.29 Zr 0.05 Al 0.05 Cr 0.26 Mn 0.35 composition showed promising hydrogenation/dehydrogenation properties. The gravimetric capacity of this alloy is ≈1.76 wt.% H 2 and the PCIs measured indicate that this material has potential for high‐pressure hydrogen storage and compression applications. The use of the presented thermodynamic model for the design of multicomponent alloys is suggested.