High-entropy alloy TiV2ZrCrMnFeNi for hydrogen storage at room temperature with full reversibility and good activation
arXiv:2402.11781 · doi:10.1016/j.scriptamat.2023.115774
Abstract
The development of alloys that are hydrogenated and dehydrogenated quickly and actively at room temperature is a challenge for the safe and compact storage of hydrogen. In this study, a new high-entropy alloy (HEA) with AB-type configuration (A: hydride-forming elements, B: inert-to-hydrogen elements) was designed by considering valence electron concentration, electronegativity difference and atomic-size mismatch of elements. The alloy TiV2ZrCrMnFeNi had dual C14 Laves and BCC phases, in which C14 stored hydrogen and BCC/C14 interphase boundaries contributed to activation. The alloy absorbed 1.6 wt% of hydrogen at room temperature without any activation treatment and exhibited fast kinetics and full reversibility.
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- Machine learning via artificial neural networks coupled with density functional theory and experiments for thermodynamic optimization of high-entropy alloys for hydrogen storage at room temperature
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