Distorted high-entropy interface facilitates efficient catalysis for accelerated reversible hydrogen storage in magnesium hydride

High-entropy alloys (HEAs) offer unique catalytic potential due to their multi-element geometric and electronic synergy.

Here, the authors introduce TiZrCrMnNi(VFe) HEA hydride (HEAH) as an efficient catalyst for MgH₂ without forming secondary phases. Through atomic dragging, HEAH imparts high-distortion characteristics to the MgH₂ surface, which in turn weakens the interfacial Mg–H bonds and boosts de-/hydrogenation kinetics. The distorted interface lowers the dehydrogenation temperature by 74 °C (from 272 to 198 °C) and reduces the activation energy by 30% (from 113.45 to 79.29 kJ/mol), owing to bond weakening and activated interfacial hydrogen with improved spillover. Meanwhile, dehydrogenated HEA enables spontaneous H₂ dissociation without energy barrier, leading to rapid hydrogenation and reaching 6.30 wt% within 1 min at 200 °C. This performance surpasses most reported HEA-modified MgH₂ systems. Furthermore, the exceptional structural stability of both the HEA and its interface suppress material agglomeration during de-/hydrogenation, thereby sustaining cycling stability.

As such, this work presents a distortion-activated HEA interface that resolves the kinetics-cyclability trade-off, enabling both efficient and reversible hydrogen storage in magnesium hydride. The work entitled “Distorted high-entropy interface facilitates efficient catalysis for accelerated reversible hydrogen storage in magnesium hydride” was published in Advanced Powder Materials (available online on 22 July 2026).