Reversible Hydrogen Storage at Moderate Pressure–Temperature Conditions of C14 Laves Phase Alloys of the (Ti_0.5–xZr_0.5–xNb_2x)₁(Mn_0.5Cr_0.5)₂ System

High Resolution Image Download MS PowerPoint Slide Hydrogen is increasingly recognized as a crucial alternative to fossil fuels. Solid-state storage utilizing metal hydrides offers a high volumetric density for effective hydrogen storage. In this study, a computational thermodynamic approach was employed to design a C14 Laves phase alloys of the (Ti 0.5– x Zr 0.5– x Nb 2 x ) 1 (Mn 0.5 Cr 0.5 ) 2 system for hydrogen storage at moderate pressure–temperature. Two alloys were designed, namely, (Ti 0.5 Zr 0.5 ) 1 (Mn 0.5 Cr 0.5 ) 2 and (Ti 0.33 Zr 0.33 Nb 0.33 ) 1 (Mn 0.5 Cr 0.5 ) 2, corresponding to x = 0 and x = 0.1667, respectively. These alloys were synthesized by arc melting, structurally characterized by different techniques, and had their hydrogen storage properties evaluated in terms of absorption kinetic, pressure–composition–isotherm diagrams, absorption/desorption reversibility, and cycling stability. Both alloys presented hydrogen absorption/desorption reversibility under mild pressure and temperature conditions with excellent cycling stability, making them potential candidates for different hydrogen-related technologies.