| アイテムタイプ |
itemtype_ver1(1) |
| 公開日 |
2025-12-19 |
| タイトル |
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タイトル |
High-Pressure Synthesis of Silicon-Rich Chromium Silicides: MoSi2-Type CrSi2 and PdGa5-Type CrSi5 with a Si Network |
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言語 |
en |
| 著者 |
Sasaki, Takuya
Takano, Koichi
Kitahara, Takumi
Gaida, Nico Alexander
Niwa, Ken
Hasegawa, Masashi
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| アクセス権 |
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アクセス権 |
embargoed access |
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アクセス権URI |
http://purl.org/coar/access_right/c_f1cf |
| 権利 |
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権利情報 |
This document is the Accepted Manuscript version of a Published Work that appeared in final form in [INORGANIC CHEMISTRY], copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see [https://pubs.acs.org/articlesonrequest/AOR-PGAKH6GRIFE2MXP8A4YY].” |
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言語 |
en |
| 内容記述 |
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内容記述タイプ |
Abstract |
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内容記述 |
Two novel chromium silicides, MoSi2-type CrSi2 and PdGa5-type CrSi5, were successfully synthesized under high-pressure and high-temperature (HPHT) conditions at 12 GPa and 600 °C. The “missing” MoSi2-type CrSi2, which was theoretically predicted to be a stable phase of chromium disilicide, was experimentally obtained for the first time, and adopted a tetragonal I4/mmm structure with a = 3.09422(2) Å and c = 7.54051(5) Å. The crystal structure of MoSi2-type CrSi2 differs from that of ambient-pressure phase CrSi2-type CrSi2 in the stacking of close-packed layers. HPHT in situ XRD experiments suggest that the stacking transition in CrSi2 involves a diffusion-promoting liquid phase. PdGa5-type CrSi5, crystallizing in the I4/mcm structure with a = 5.99998(8) Å and c = 9.2363(2) Å, represents the most Si-rich compound among the reported transition-metal silicides. Its formation was confirmed by HPHT in situ XRD, and DFT calculations revealed that its enthalpy was lower than those of the other phases under high pressure. The structure contains covalently bonded Si–Si networks forming tunnel-like frameworks, reminiscent of clathrate architectures. These findings suggest the potential of exploring a novel class of silicon-rich transition-metal silicides and demonstrate that high-pressure synthesis is a powerful strategy for expanding the structural diversity of transition-metal silicides. |
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言語 |
en |
| 出版者 |
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出版者 |
ACS Publications |
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言語 |
en |
| 言語 |
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言語 |
eng |
| 資源タイプ |
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資源タイプresource |
http://purl.org/coar/resource_type/c_6501 |
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タイプ |
journal article |
| 出版タイプ |
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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 |
| 関連情報 |
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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 |
https://doi.org/10.1021/acs.inorgchem.5c02349 |
| 収録物識別子 |
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収録物識別子タイプ |
PISSN |
| 書誌情報 |
en : INORGANIC CHEMISTRY
巻 64,
号 40,
p. 19989-19997,
発行日 2025-10-13
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| ファイル公開日 |
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日付 |
2026-10-13 |
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日付タイプ |
Available |
High-pressure_synthesis_of_silicon-rich_chromium_silicides_MoSi2-type_CrSi2_and_PdGa5-type_CrSi.pdf (12 MB)
