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Synthesis, crystal structure, and ionic conductivity of hydride ion-conducting Ln2LiHO3 (Ln = La, Pr, Nd) oxyhydrides

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Abstract

Hydride ion (H)-conducting solids could contribute to the development of novel electrochemical devices using unique H conduction phenomena. However, understanding the new class of H conducting oxyhydrides is still undergoing. In this study, new H conducting Ln2LiHO3 (Ln = La, Pr, Nd) oxyhydrides were synthesised using a high-pressure (2 GPa) method. Structural analysis revealed that the anion arrangement in the axial sites of the perovskite unit depends on the Ln ions and strongly affects hydride conductivity. Nd2LiHO3, which has a space group Immm, in which ∼5% of the O sites (2d) are occupied instead by H, had the highest conductivity at 280 °C of 2.2 × 10−5 S cm−1. The possibility of long-distance H diffusion in Ln2LiHO3 was computationally investigated. The results corroborate the experimental findings, which indicate that lower O content promotes anion migration.

Graphical abstract: Synthesis, crystal structure, and ionic conductivity of hydride ion-conducting Ln2LiHO3 (Ln = La, Pr, Nd) oxyhydrides

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Publication details

The article was received on 17 Jul 2018, accepted on 19 Oct 2018 and first published on 07 Nov 2018


Article type: Paper
DOI: 10.1039/C8TA06880A
Citation: J. Mater. Chem. A, 2018, Advance Article
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    Synthesis, crystal structure, and ionic conductivity of hydride ion-conducting Ln2LiHO3 (Ln = La, Pr, Nd) oxyhydrides

    Y. Iwasaki, N. Matsui, K. Suzuki, Y. Hinuma, M. Yonemura, G. Kobayashi, M. Hirayama, I. Tanaka and R. Kanno, J. Mater. Chem. A, 2018, Advance Article , DOI: 10.1039/C8TA06880A

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