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Infrared Spectroscopic and Computational Studies on Li4FeH6 with High Gravimetric Hydrogen Density
https://repo.qst.go.jp/records/48047
https://repo.qst.go.jp/records/48047dcfd86c6-8e27-4859-9184-da230da380fc
Item type | 学術雑誌論文 / Journal Article(1) | |||||
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公開日 | 2017-06-14 | |||||
タイトル | ||||||
タイトル | Infrared Spectroscopic and Computational Studies on Li4FeH6 with High Gravimetric Hydrogen Density | |||||
言語 | ||||||
言語 | eng | |||||
資源タイプ | ||||||
資源タイプ識別子 | http://purl.org/coar/resource_type/c_6501 | |||||
資源タイプ | journal article | |||||
アクセス権 | ||||||
アクセス権 | metadata only access | |||||
アクセス権URI | http://purl.org/coar/access_right/c_14cb | |||||
著者 |
Ogata, Takahiro
× Ogata, Takahiro× Sato, Toyoto× Takagi, Shigeyuki× 齋藤, 寛之× Iijima, Yuki× Paik, Biswajit× Orimo, Shin-ichi× 齋藤 寛之 |
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抄録 | ||||||
内容記述タイプ | Abstract | |||||
内容記述 | We report the vibrational properties of Li4FeH6 with the highest gravimetric hydrogen density in Fe-based complex hydrides. The Fourier transform infrared (FTIR) spectrum shows a broad and weak peak at 600–1000 cm−1 and an intense one at 1400–1800 cm−1, which are assigned with the aid of 1first-principles calculations to be the H–Fe–H bending modes, and the antisymmetric Fe–H stretching modes, respectively. From the obtained peak frequency of asymmetric stretching modes of Li4FeH6, the Fe–H bond length is estimated to be 1.6 A, which is in good agreement with the one predicted by fi1rst-principles calculations. |
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書誌情報 |
Materials Transactions 巻 58, 号 2, p. 157-159, 発行日 2017-01 |
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出版者 | ||||||
出版者 | 公益社団法人日本金属学会 | |||||
ISSN | ||||||
収録物識別子タイプ | ISSN | |||||
収録物識別子 | 1345-9678 | |||||
DOI | ||||||
識別子タイプ | DOI | |||||
関連識別子 | 10.2320/matertrans.M2016345 | |||||
関連サイト | ||||||
識別子タイプ | URI | |||||
関連識別子 | https://www.jstage.jst.go.jp/article/matertrans/58/2/58_M2016345/_article | |||||
関連名称 | https://www.jstage.jst.go.jp/article/matertrans/58/2/58_M2016345/_article |