Resolving the Capacity-Stability-Cost Trilemma in Multi-Principal-Element Hydrogen Storage Alloys Through Multi-Objective Optimization.

ABSTRACT: Overcoming the capacity-stability-cost trilemma in hydrogen storage materials represents a fundamental Pareto-type challenge for practical metal hydride applications. Current research efforts remain fragmented, typically pursuing single-parameter optimization while lacking holistic approaches that concurrently satisfy all three criteria. Here, a novel design paradigm is proposed by orchestrating A/B-side multi-principal-element alloys (MPEAs) in C14 Laves phases, enabling concurrent optimization of interstitial hydrogen storage environments and thermodynamics. Through three consecutive elemental screening and precise composition engineering, the optimized Ti_0.8Zr_0.22Mn_1.22Cr_0.53(VFe)_0.25 MPEA achieves a breakthrough saturation capacity

SUBMITTER: Zhou P 

PROVIDER: S-EPMC12631894 | biostudies-literature | 2025 Nov

REPOSITORIES: biostudies-literature