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Structure and Hydrogenation Properties of a HfNbTiVZr High-Entropy Alloy

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Authors
Karlsson, D.
Ek, G.
Cedervall, J.
Zlotea, C.
Moller, Kasper
Hansen, T.
Bednarcík, J.
Paskevicius, M.
Sørby, M.
Jensen, T.
Jansson, U.
Sahlberg, M.
Date
2018
Type
Journal Article

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Karlsson, D. and Ek, G. and Cedervall, J. and Zlotea, C. and Moller, K. and Hansen, T. and Bednarcík, J. et al. 2018. Structure and Hydrogenation Properties of a HfNbTiVZr High-Entropy Alloy. Inorganic Chemistry. 57 (4): pp. 2103-2110.
Source Title
Inorganic Chemistry
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School of Electrical Engineering, Computing and Mathematical Science (EECMS)
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Abstract

© 2018 American Chemical Society. A high-entropy alloy (HEA) of HfNbTiVZr was synthesized using an arc furnace followed by ball milling. The hydrogen absorption mechanism was studied by in situ X-ray diffraction at different temperatures and by in situ and ex situ neutron diffraction experiments. The body centered cubic (BCC) metal phase undergoes a phase transformation to a body centered tetragonal (BCT) hydride phase with hydrogen occupying both tetrahedral and octahedral interstitial sites in the structure. Hydrogen cycling of the alloy at 500 °C is stable. The large lattice strain in the HEA seems favorable for absorption in both octahedral and tetrahedral sites. HEAs therefore have potential as hydrogen storage materials because of favorable absorption in all interstitial sites within the structure.