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Interstital-atom-induced phase transformation upon hydrogenation in vanadium
https://repo.qst.go.jp/records/49158
https://repo.qst.go.jp/records/491589a9ab75b-3461-4eae-b5e5-dab70f392851
| Item type | 学術雑誌論文 / Journal Article(1) | |||||
|---|---|---|---|---|---|---|
| 公開日 | 2018-09-05 | |||||
| タイトル | ||||||
| タイトル | Interstital-atom-induced phase transformation upon hydrogenation in vanadium | |||||
| 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 |
Sakaki, Kouji
× Sakaki, Kouji× Kim, Hyunjeong× Iwase, Kenji× H., Majzoub Eric× Machida, Akihiko× Watanuki, Tetsu× Nakamura, Yumiko× 町田 晃彦× 綿貫 徹 |
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| 抄録 | ||||||
| 内容記述タイプ | Abstract | |||||
| 内容記述 | We investigated the effect of interstitial atoms on hydrogen storage properties in vanadium. When the nitrogen concentration was below 0.4 wt%, the plateau pressures of the pressure-composition-isotherm curve increased with increasing nitrogen concentration during hydrogen absorption and desorption and vanadium samples with a body-centered cubic (BCC) transformed to VH0.5 with a body-centered tetragonal (BCT) of c/a=1.1, and then VH2 with a face-centered cubic (FCC). When the nitrogen concentration exceeded 0.6 wt%, a new single-phase region appeared in the pressure-composition isotherm The X-ray diffraction data indicated that this new hydride phase was VH1.0 with a BCT structure and c/a = 1.24, and the phase transformation took place as V became VH0.5, followed by VH1.0 and then VH2. Density functional theory calculations indicated that the BCT structure model with hydrogen atoms fully occupying the octahedral sites (denoted as the Oz site) can explain the experimentally obtained crystal structure for VH1.0; they also indicated that the VH1.0 phase was stabilized by the addition of nitrogen. In addition, the nitrogen occupation site changed from the Oz site in VH0.5 and VH1.0 to the tetrahedral site in VH2 in coordination with hydrogen during hydrogen absorption. A similar phenomenon was observed in carbon-containing vanadium. It can thus be concluded that the phase transformation pathway and stability of the hydride phases in the V–H system are highly sensitive to the addition of interstitial carbon and nitrogen atoms. | |||||
| 書誌情報 |
Journal of Alloys and Compounds 巻 750, p. 33-41, 発行日 2018-03 |
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| 出版者 | ||||||
| 出版者 | Elsevier | |||||
| ISSN | ||||||
| 収録物識別子タイプ | ISSN | |||||
| 収録物識別子 | 0925-8388 | |||||
| DOI | ||||||
| 識別子タイプ | DOI | |||||
| 関連識別子 | 10.1016/j.jallcom.2018.03.345 | |||||
