Elucidating the Effects of the Composition on Hydrogen Sorption in TiVZrNbHf-Based High-Entropy Alloys

Ek, Gustav; Nygård, Magnus M.; Pavan, Adriano F.; Montero, Jorge; Henry, Paul F.; Sørby, Magnus H.; Witman, Matthew; Stavila, Vitalie; Zlotea, Claudia; Hauback, Bjørn C.; Sahlberg, Martin

doi:10.1021/acs.inorgchem.0c03270

Title: Elucidating the Effects of the Composition on Hydrogen Sorption in TiVZrNbHf-Based High-Entropy Alloys

Journal Article · Mon Dec 28 00:00:00 EST 2020 · Inorganic Chemistry

DOI:https://doi.org/10.1021/acs.inorgchem.0c03270· OSTI ID:1749976

^[1]; Nygård, Magnus M. ^[2]; Pavan, Adriano F. ^[1]; Montero, Jorge ^[3];

^[4]; Sørby, Magnus H. ^[2];

^[5];

^[3];

^[2]; Sahlberg, Martin ^[1]

Department of Chemistry − Ångström Laboratory, Uppsala University, Box 523, Uppsala SE-75120, Sweden
Department for Neutron Materials Characterization, Institute for Energy Technology, P.O. Box 40, Kjeller NO-2027, Norway
Institut de Chimie et des Matériaux Paris Est, Université de Paris Est, CNRS, UPEC, Thiais 94320, France
Department of Chemistry − Ångström Laboratory, Uppsala University, Box 523, Uppsala SE-75120, Sweden, ISIS Pulsed Neutron and Muon Source, Rutherford Appleton Laboratory, Didcot OX11 0QX, United Kingdom
Sandia National Laboratories, Livermore, California 94551, United States

A number of high-entropy alloys (HEAs) in the TiVZrNbHf system have been synthesized by arc melting and systematically evaluated for their hydrogen sorption characteristics. A total of 21 alloys with varying elemental compositions were investigated, and 17 of them form body-centered-cubic (bcc) solid solutions in the as-cast state. A total of 15 alloys form either facecentered- cubic (fcc) or body-centered-tetragonal (bct) hydrides after exposure to gaseous hydrogen with hydrogen per metal ratios (H/M) as high as 2.0. Linear trends are observed between the volumetric expansion per metal atom [(V/Z)_fcc/bct - (V/Z)_bcc/hcp]/ (V/Z)_bcc/hcp with the valence electron concentration and average Pauling electronegativity (χ_p) of the alloys. However, no correlation was observed between the atomic size mismatch, δ, and any investigated hydrogen sorption property such as the maximum storage capacity or onset temperature for hydrogen release.

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Research Organization:: Uppsala Univ. (Sweden)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE)

Grant/Contract Number:: AC04-94AL85000; NA0003525

OSTI ID:: 1749976

Alternate ID(s):: OSTI ID: 1760344

Journal Information:: Inorganic Chemistry, Journal Name: Inorganic Chemistry Vol. 60 Journal Issue: 2; ISSN 0020-1669

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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