Activation of Ti–Fe–Cr alloys containing identical AB2 fractions

•Activation occurs faster with increasing Cr concentration at the same AB2 fraction.•As the amount of Cr increases, the equilibrium pressure and hysteresis decrease.•Single-phase AB containing a specific amount of Cr is activated at RT.•Single-phase AB2 cannot be activated at RT if the Cr concentration is small. [Display omitted] TiFe-based alloys are solid-state hydrogen storage materials operated at room temperature (RT). The current study presents a systematic approach for solving the activation issue (difficulty in the first hydrogenation), one of the major obstacles to the practical application of TiFe alloys, via the use of a secondary AB2 phase. Based on the Ti–Fe–Cr ternary phase diagram, Ti–Fe–Cr alloys containing 80 at% Ti(Fe,Cr) (AB phase) and 20 at% Ti(Fe,Cr)2 (AB2 phase) were designed; the Cr concentrations in the AB and AB2 phase were systematically varied while maintaining fixed phase fractions. Activation at RT was achieved when the overall Cr concentration was higher than 9.7 at%. Analysis of the activation characteristics of the individual phases revealed that the AB2 phase readily absorbed hydrogen, thereby initiating activation of AB + AB2 alloys. Notably, higher Cr concentrations enable the AB phase to absorb hydrogen at RT during the activation process, although the kinetics are much slower than that of the co-existing AB2 phase. The equilibrium hydrogen pressures from the pressure-composition isotherms decrease as the Cr concentration increases, indicating that Cr stabilizes hydrides. Increased hydride stability may also promote the kinetics of the initial hydride formation in both the AB and AB2 phases. An optimal composition for Ti–Fe–Cr alloys can be designed given the conditions of easy activation at RT and maximum reversible capacity within an operating pressure range.