Infrared spectroscopic and computational studies on Li4FeH6 with high gravimetric hydrogen density

Takahiro Ogata, Toyoto Sato, Shigeyuki Takagi, Hiroyuki Saitoh, Yuki Iijima, Biswajit Paik, Shin Ichi Orimo

研究成果: Article査読

2 被引用数 (Scopus)

抄録

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 first-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 Å, which is in good agreement with the one predicted by first-principles calculations.

本文言語English
ページ(範囲)157-159
ページ数3
ジャーナルMaterials Transactions
58
2
DOI
出版ステータスPublished - 2017
外部発表はい

ASJC Scopus subject areas

  • 材料科学(全般)
  • 凝縮系物理学
  • 材料力学
  • 機械工学

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