This research investigates the impact of incorporating Nb into Ti–V–Cr-based alloys, with compositions ranging from Ti30-xV35Cr35Nbx (x = 0, 5, 10, 15, and 20 at. %), with the objective of enhancing hydrogen storage properties. Employing a comprehensive approach encompassing design, synthesis, and characterization, the study aimed to develop novel hydrogen storage alloys. Utilizing the CALPHAD method, the alloys were designed to anticipate the formation of multicomponent single-phase structures. Structural and microstructural analyses of the synthesized alloys were conducted using XRD, SEM, and EDS techniques. The hydrogen storage capabilities were evaluated utilizing a Sieverts’ type apparatus. The investigated alloys displayed a singular-phase BCC solid solution, characterized by dendritic microstructures. Notably, the Nb-free alloy, Ti30V35Cr35, demonstrated the highest hydrogen storage capacity, reaching 3.62 wt% (∼1.9 H/M) under 20 bar of H2 at room temperature. Among the Nb-containing alloys, Ti25V35Cr35Nb5 exhibited a capacity of 2.91 wt% (∼1.6 H/M) under identical conditions. Furthermore, the incorporation of Nb up to 10 at. % effectively bolstered cycle durability. This study underscores the presence of an optimal Nb content crucial for achieving the highest hydrogen capacity and cycle durability in these alloys.
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