| アイテムタイプ |
学術雑誌論文 / Journal Article.(1) |
| 公開日 |
2023-10-12 |
| 書誌情報 |
en : Inorganic Chemistry
巻 60,
号 23,
p. 17715-17721,
ページ数 7,
発行日 2021
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| タイトル |
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タイトル |
Stability of Zirconium-Substituted Face-Centered Cubic Yttrium Hydride |
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言語 |
en |
| 言語 |
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|
言語 |
eng |
| キーワード |
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言語 |
en |
|
主題Scheme |
Other |
|
主題 |
Rare earth hydride |
| キーワード |
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言語 |
en |
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主題Scheme |
Other |
|
主題 |
Ball milling |
| キーワード |
|
|
言語 |
en |
|
主題Scheme |
Other |
|
主題 |
Structural stability |
| 資源タイプ |
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|
資源タイプ識別子 |
http://purl.org/coar/resource_type/c_6501 |
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資源タイプ |
journal article |
| アクセス権 |
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アクセス権 |
open access |
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アクセス権URI |
http://purl.org/coar/access_right/c_abf2 |
| 著者 |
Kataoka, Riki
Asano, Kohta
Sakaki, Kouji
Kitta, Mitsunori
Tada, Kohei
Kiyobayashi, Tetsu
Ozaki, Hiroyuki
Takeichi, Nobuhiko
Hayashi, Shigenobu
Kimura, Toru
亀川, 厚則
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| 抄録 |
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内容記述タイプ |
Abstract |
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内容記述 |
The stability of hydrogen in a zirconium (Zr)-substituted face-centered cubic (FCC) yttrium (Y) hydride (ZSY) phase was investigated experimentally and theoretically. Two possible sites for hydrogen atoms exist in the FCC structure, namely the T- and O-sites, where hydrogen is present at the center of the tetrahedron and the octahedron composed of Y and/or Zr metals. The P-C isotherms revealed that the hydrogen content per metal (H/M) with 33% Zr-substituted YH3−δ was 2.2-2.3, which was lower than the expected value calculated from the starting composition of YH3-33%ZrH2 (Y0.67Zr0.33H2.67) and 2H MAS. An NMR study revealed that the deuterium (hydrogen) at the O-site in ZSY mainly reacted during the deuterium (hydrogen) desorption/ absorption process. Based on a theoretical analysis, when at least two of the six vertices of the octahedron were composed of Zr, its center, i.e., H at the O-site, became unstable. Such unstable O-sites, where more than two Zr is coordinated, nonlinearly increased with an increasing in the Zr content, and when the Zr content was over 50%, almost all of the O-sites were unstable. The theoretical discussion supported the experimental results, and the Zr substitution was confirmed to reduce the stability of the H at the O-site in the FCC YH3 significantly. |
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言語 |
en |
| 出版者 |
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出版者 |
American Chemical Society |
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言語 |
en |
| 出版者版へのリンク |
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言語 |
en |
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URL |
https://doi.org/10.1021/acs.inorgchem.1c02333 |
| DOI |
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関連タイプ |
isVersionOf |
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識別子タイプ |
DOI |
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関連識別子 |
10.1021/acs.inorgchem.1c02333 |
| ISSN |
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収録物識別子タイプ |
PISSN |
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収録物識別子 |
0020-1669 |
| 権利 |
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|
権利情報 |
© 2021 American Chemical Society |
|
言語 |
en |
| 著者版フラグ |
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出版タイプ |
AM |
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出版タイプResource |
http://purl.org/coar/version/c_ab4af688f83e57aa |
60(17715).pdf (1.8 MB)
