Hydrogen storage properties and mechanisms of as-cast, homogenized and ECAP processed Mg98.5Y1Zn0.5 alloys containing LPSO phase

J. Zhang, Y. Yao, L. He, X.J. Zhou, L.P. Yu, X.Z. Lu and P. Peng

Energy, 2021, vol. 217, issue C

Abstract: In this work, three different states (as-cast, homogenized and ECAP processed) of Mg98.5Y1Zn0.5 alloys with high theoretical hydrogen storage capacity (7.2 wt%) were prepared and comminuted into chips by filing. Then their hydrogen storage properties and underlying mechanisms were systematically investigated through experimental and first-principles calculations approaches. The results show that the activation properties of these alloys are enhanced in the order of homogenized, as-cast and ECAP processed states, which is closely associated with the size of filed chips. After activation, the as-cast and ECAP processed samples exhibit the superior hydrogen adsorption/desorption kinetics compared with the homogenized one. Interestingly, the as-cast sample presents the similar or even better kinetics relative to the ECAP processed one. This should be attributed to the more uniform dispersion of in-situ formed YH2 nanohydride in the as-cast alloy, which remarkably boosts the reversible hydrogen storage properties of Mg matrix by the synergistic pinning and catalytic effects. First-principles calculations reveal that the doping of Y not only reduces the activation energy of H2 dissociation on Mg surface, but also decreases the hydrogen removal energy of H atom from MgH2 bulk, which accounts well for the excellent hydrogen sorption kinetics of Mg98.5Y1Zn0.5 alloys.

Keywords: Magnesium alloys; LPSO phase; Hydrogen storage properties; Kinetics; Filing; First-principles calculations (search for similar items in EconPapers)
Date: 2021
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Citations: View citations in EconPapers (1)

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Persistent link: https://EconPapers.repec.org/RePEc:eee:energy:v:217:y:2021:i:c:s0360544220324221

DOI: 10.1016/j.energy.2020.119315

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