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

Abstract

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 (χp) 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.

Authors:
ORCiD logo [1];  [2];  [1];  [3]; ORCiD logo [4];  [2]; ORCiD logo [5]; ORCiD logo [5]; ORCiD logo [3]; ORCiD logo [2];  [1]
  1. Department of Chemistry − Ångström Laboratory, Uppsala University, Box 523, Uppsala SE-75120, Sweden
  2. Department for Neutron Materials Characterization, Institute for Energy Technology, P.O. Box 40, Kjeller NO-2027, Norway
  3. Institut de Chimie et des Matériaux Paris Est, Université de Paris Est, CNRS, UPEC, Thiais 94320, France
  4. 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
  5. Sandia National Laboratories, Livermore, California 94551, United States
Publication Date:
Research Org.:
Uppsala Univ. (Sweden)
Sponsoring Org.:
USDOE Office of Energy Efficiency and Renewable Energy (EERE)
OSTI Identifier:
1749976
Alternate Identifier(s):
OSTI ID: 1760344
Grant/Contract Number:  
AC04-94AL85000; NA0003525
Resource Type:
Published Article
Journal Name:
Inorganic Chemistry
Additional Journal Information:
Journal Name: Inorganic Chemistry Journal Volume: 60 Journal Issue: 2; Journal ID: ISSN 0020-1669
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

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., and Sahlberg, Martin. Elucidating the Effects of the Composition on Hydrogen Sorption in TiVZrNbHf-Based High-Entropy Alloys. United States: N. p., 2020. Web. doi:10.1021/acs.inorgchem.0c03270.
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. Elucidating the Effects of the Composition on Hydrogen Sorption in TiVZrNbHf-Based High-Entropy Alloys. United States. https://doi.org/10.1021/acs.inorgchem.0c03270
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., and Sahlberg, Martin. Mon . "Elucidating the Effects of the Composition on Hydrogen Sorption in TiVZrNbHf-Based High-Entropy Alloys". United States. https://doi.org/10.1021/acs.inorgchem.0c03270.
@article{osti_1749976,
title = {Elucidating the Effects of the Composition on Hydrogen Sorption in TiVZrNbHf-Based High-Entropy Alloys},
author = {Ek, Gustav and Nygård, Magnus M. and Pavan, Adriano F. and Montero, Jorge and Henry, Paul F. and Sørby, Magnus H. and Witman, Matthew and Stavila, Vitalie and Zlotea, Claudia and Hauback, Bjørn C. and Sahlberg, Martin},
abstractNote = {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 (χp) 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.},
doi = {10.1021/acs.inorgchem.0c03270},
journal = {Inorganic Chemistry},
number = 2,
volume = 60,
place = {United States},
year = {Mon Dec 28 00:00:00 EST 2020},
month = {Mon Dec 28 00:00:00 EST 2020}
}

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