Hydride-based antiperovskites with soft anionic sublattices as fast alkali ionic conductors

Shenghan Gao, Thibault Broux, Susumu Fujii, Cédric Tassel (), Kentaro Yamamoto, Yao Xiao, Itaru Oikawa, Hitoshi Takamura, Hiroki Ubukata, Yuki Watanabe, Kotaro Fujii, Masatomo Yashima, Akihide Kuwabara, Yoshiharu Uchimoto and Hiroshi Kageyama ()
Additional contact information
Shenghan Gao: Graduate School of Engineering, Kyoto University
Thibault Broux: Graduate School of Engineering, Kyoto University
Susumu Fujii: Nanostructures Research Laboratory, Japan Fine Ceramics Center
Cédric Tassel: Graduate School of Engineering, Kyoto University
Kentaro Yamamoto: Graduate School of Human and Environmental Studies, Kyoto University
Yao Xiao: Graduate School of Human and Environmental Studies, Kyoto University
Itaru Oikawa: Graduate School of Engineering, Tohoku University
Hitoshi Takamura: Graduate School of Engineering, Tohoku University
Hiroki Ubukata: Graduate School of Engineering, Kyoto University
Yuki Watanabe: Graduate School of Engineering, Kyoto University
Kotaro Fujii: School of Science, Tokyo Institute of Technology
Masatomo Yashima: School of Science, Tokyo Institute of Technology
Akihide Kuwabara: Nanostructures Research Laboratory, Japan Fine Ceramics Center
Yoshiharu Uchimoto: Graduate School of Human and Environmental Studies, Kyoto University
Hiroshi Kageyama: Graduate School of Engineering, Kyoto University

Nature Communications, 2021, vol. 12, issue 1, 1-10

Abstract: Abstract Most solid-state materials are composed of p-block anions, only in recent years the introduction of hydride anions (1s2) in oxides (e.g., SrVO2H, BaTi(O,H)3) has allowed the discovery of various interesting properties. Here we exploit the large polarizability of hydride anions (H–) together with chalcogenide (Ch2–) anions to construct a family of antiperovskites with soft anionic sublattices. The M3HCh antiperovskites (M = Li, Na) adopt the ideal cubic structure except orthorhombic Na3HS, despite the large variation in sizes of M and Ch. This unconventional robustness of cubic phase mainly originates from the large size-flexibility of the H– anion. Theoretical and experimental studies reveal low migration barriers for Li+/Na+ transport and high ionic conductivity, possibly promoted by a soft phonon mode associated with the rotational motion of HM6 octahedra in their cubic forms. Aliovalent substitution to create vacancies has further enhanced ionic conductivities of this series of antiperovskites, resulting in Na2.9H(Se0.9I0.1) achieving a high conductivity of ~1 × 10–4 S/cm (100 °C).

Date: 2021
References: Add references at CitEc
Citations: View citations in EconPapers (1)

Downloads: (external link)
https://www.nature.com/articles/s41467-020-20370-2 Abstract (text/html)

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:nat:natcom:v:12:y:2021:i:1:d:10.1038_s41467-020-20370-2

Ordering information: This journal article can be ordered from
https://www.nature.com/ncomms/

DOI: 10.1038/s41467-020-20370-2

Access Statistics for this article

Nature Communications is currently edited by Nathalie Le Bot, Enda Bergin and Fiona Gillespie

More articles in Nature Communications from Nature
Bibliographic data for series maintained by Sonal Shukla () and Springer Nature Abstracting and Indexing ().