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TiVZrNb Multi-Principal-Element Alloy: Synthesis Optimization, Structural, and Hydrogen Sorption Properties
Univ Paris Est, CNRS, UMR 7182, ICMPE,UPEC, F-94320 Thiais, France.
Univ Paris Est, CNRS, UMR 7182, ICMPE,UPEC, F-94320 Thiais, France.
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Inorganic Chemistry.
Univ Paris Est, CNRS, UMR 7182, ICMPE,UPEC, F-94320 Thiais, France.
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2019 (English)In: Molecules, ISSN 1420-3049, E-ISSN 1420-3049, Vol. 24, no 15, article id 2799Article in journal (Refereed) Published
Abstract [en]

While the overwhelming number of papers on multi-principal-element alloys (MPEAs) focus on the mechanical and microstructural properties, there has been growing interest in these alloys as solid-state hydrogen stores. We report here the synthesis optimization, the physicochemical and the hydrogen sorption properties of Ti0.325V0.275Zr0.125Nb0.275. This alloy was prepared by two methods, high temperature arc melting and ball milling under Ar, and crystallizes into a single-phase bcc structure. This MPEA shows a single transition from the initial bcc phase to a final bct dihydride and a maximum uptake of 1.7 H/M (2.5 wt%). Interestingly, the bct dihydride phase can be directly obtained by reactive ball milling under hydrogen pressure. The hydrogen desorption properties of the hydrides obtained by hydrogenation of the alloy prepared by arc melting or ball milling and by reactive ball milling have been compared. The best hydrogen sorption properties are shown by the material prepared by reactive ball milling. Despite a fading of the capacity for the first cycles, the reversible capacity of the latter material stabilizes around 2 wt%. To complement the experimental approach, a theoretical investigation combining a random distribution technique and first principle calculation was done to estimate the stability of the hydride.

Place, publisher, year, edition, pages
MDPI , 2019. Vol. 24, no 15, article id 2799
Keywords [en]
multi-principal element alloys, hydrogen absorption, phase transformation, neutron diffraction, thermo-desorption spectroscopy, SQS-DFT
National Category
Materials Chemistry
Identifiers
URN: urn:nbn:se:uu:diva-393824DOI: 10.3390/molecules24152799ISI: 000482441100122PubMedID: 31370373OAI: oai:DiVA.org:uu-393824DiVA, id: diva2:1356441
Available from: 2019-10-01 Created: 2019-10-01 Last updated: 2019-10-01Bibliographically approved

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