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A two-dimensional type I superionic conductor

Rettie, AJE; Ding, J; Zhou, X; Johnson, MJ; Malliakas, CD; Osti, NC; Chung, DY; ... Kanatzidis, MG; + view all (2021) A two-dimensional type I superionic conductor. Nature Materials , 20 pp. 1683-1688. 10.1038/s41563-021-01053-9. Green open access

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Abstract

Superionic conductors possess liquid-like ionic diffusivity in the solid state, finding wide applicability from electrolytes in energy storage to materials for thermoelectric energy conversion. Type I superionic conductors (for example, AgI, Ag2Se and so on) are defined by a first-order transition to the superionic state and have so far been found exclusively in three-dimensional crystal structures. Here, we reveal a two-dimensional type I superionic conductor, α-KAg3Se2, by scattering techniques and complementary simulations. Quasi-elastic neutron scattering and ab initio molecular dynamics simulations confirm that the superionic Ag+ ions are confined to subnanometre sheets, with the simulated local structure validated by experimental X-ray powder pair-distribution-function analysis. Finally, we demonstrate that the phase transition temperature can be controlled by chemical substitution of the alkali metal ions that compose the immobile charge-balancing layers. Our work thus extends the known classes of superionic conductors and will facilitate the design of new materials with tailored ionic conductivities and phase transitions.

Type: Article
Title: A two-dimensional type I superionic conductor
Open access status: An open access version is available from UCL Discovery
DOI: 10.1038/s41563-021-01053-9
Publisher version: https://doi.org/10.1038/s41563-021-01053-9
Language: English
Additional information: This version is the author accepted manuscript. For information on re-use, please refer to the publisher’s terms and conditions.
Keywords: Atomistic models, Phase transitions and critical phenomena, Solid-state chemistry, Structure of solids and liquids
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science > Dept of Chemical Engineering
URI: https://discovery.ucl.ac.uk/id/eprint/10133249
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