Room-Temperature Fast H-Conduction in Oxygen-Substituted Lanthanum Hydride

Keiga Fukui, Soshi Iimura, Albert Iskandarov, Tomofumi Tada, Hideo Hosono

研究成果: ジャーナルへの寄稿学術誌査読

13 被引用数 (Scopus)


The hydride ion (H-) is a unique anionic species that exhibits high reactivity and chemical energy. H- conductors are key materials to utilize advantages of H- for applications, such as chemical reactors and energy storage systems. However, low H- conductivity at room temperature (RT) in current H- conductors limit their applications. In this study, we report a H- conductivity of ∼1 mS cm-1 at RT, which is higher by 3 orders of magnitude than that of the best conductor, in lightly oxygen-doped lanthanum hydride, LaH3-2xOx with x < 0.25. The oxygen concentration (x) is crucial in achieving fast H- conduction near RT; the low activation barrier of 0.3-0.4 eV is attained for x < 0.25, above which it increases to 1.2-1.3 eV. Molecular dynamics simulations using neural-network potential successfully reproduced the observed activation energy, revealing the presence of mobile and immobile H-.

ジャーナルJournal of the American Chemical Society
出版ステータス出版済み - 2月 2 2022

!!!All Science Journal Classification (ASJC) codes

  • 触媒
  • 化学 (全般)
  • 生化学
  • コロイド化学および表面化学


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