Achieving Anti-Disproportionation Performance Enhancement and Distorted Inverse-Disproportionation Reaction Correction of Zr₂Fe-Based Hydrogen Isotope Storage Alloys via Element Substitution.

ABSTRACT: Zr₂Fe alloy is a promising candidate as a tritium-getter material for the International Thermonuclear Experimental Reactor (ITER), but its practical application is hindered by undesirable inverse disproportionation behavior and poor anti-disproportionation properties. In this study, theoretical computational screening is utilized to predict the effects of partially substituting Fe with Co, Cu, and Ni on regulating the Zr₂Fe_1-xM_x (M = Co, Cu, Ni; x = 0.1-0.5) hydrogen storage systems. Experimentally, these modifications successfully correct the distorted inverse disproportionation reaction and achieve full reversibility in the Zr₂Fe_1-xM_x-H systems. Notably, Zr₂Fe_0.8Cu_0.2 and Zr

SUBMITTER: Yang Z 

PROVIDER: S-EPMC12462946 | biostudies-literature | 2025 Sep

REPOSITORIES: biostudies-literature