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Cited by 236Advanced Battery Materials and TechnologiesAdvancements in Battery MaterialsThermal Expansion and Ionic Conductivity

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Lithium superionic conductors with corner-sharing frameworks

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Jun, KyuJung, Sun, Yingzhi, Xiao, Yihan, Zeng, Yan, Kim, Ryounghee, Kim, Haegyeom, Miara, Lincoln J., Im, Dongmin, Wang, Yan, Ceder, Gerbrand·2022·Nature Materials
DOI 10.1038/s41563-022-01222-4
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Abstract

Superionic lithium conductivity has only been discovered in a few classes of materials, mostly found in thiophosphates and rarely in oxides. Herein, we reveal that corner-sharing connectivity of the oxide crystal structure framework promotes superionic conductivity, which we rationalize from the distorted lithium environment and reduced interaction between lithium and non-lithium cations. By performing a high-throughput search for materials with this feature, we discover ten new oxide frameworks predicted to exhibit superionic conductivity-from which we experimentally demonstrate LiGa(SeO 3 ) 2 with a bulk ionic conductivity of 0.11 mS cm -1 and an activation energy of 0.17 eV. Our findings provide insight into the factors that govern fast lithium mobility in oxide materials and will accelerate the development of new oxide electrolytes for all-solid-state batteries.

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  • Following ref. 69, a material is classified as having superionic behaviour if the conductivity σ at 1,000 K, as measured by AIMD, satisfies σ1,000K > 101.18 mScm−1.

    “Following ref. 69, we classify a material as having superionic behaviour if the conductivity σ at the temperature of 1,000 K, as measured by AIMD, satisfies σ1,000K > 101.18 mScm−1.”

    From Scaling deep learning for materials discovery (2023) · cites this paper as [69]

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Metadata

Authors
Jun, K., Sun, Y., Xiao, Y., Zeng, Y., Kim, R., Kim, H., Miara, L. J., Im, D., Wang, Y., & Ceder, G.
Affiliations
  • Lawrence Berkeley National Laboratory (US)
  • Samsung Semiconductor (United States) (US)
  • Samsung (South Korea) (KR)
Corresponding author
  • Wang, Yan
  • Ceder, Gerbrand
ORCID
Venue
Nature Materials
Publisher
Springer Science and Business Media LLC
Published
2022-03-31
Volume
21
Issue
8
Pages
924-931
ISSN
  • 1476-1122 (ISSN-L)
  • 1476-4660
DOI
10.1038/s41563-022-01222-4
OpenAlex
W4220804649
Cited by
236
References
2
Citations by year
2026: 49 · 2025: 66 · 2024: 59 · 2023: 48 · 2022: 14
FWCI
12.74
Type
journal article
Language
en
Open access
Licence
Locations
  • Nature Materials (publishedVersion)
  • PubMed (publishedVersion)
  • eScholarship (California Digital Library) (submittedVersion, cc-by-nc)
Funders
This work is funded by Samsung Research Institute of Technology.
Topics
  • Physical Sciences › Engineering › Electrical and Electronic Engineering › Advanced Battery Materials and Technologies
  • Physical Sciences › Engineering › Electrical and Electronic Engineering › Advancements in Battery Materials
  • Physical Sciences › Materials Science › Materials Chemistry › Thermal Expansion and Ionic Conductivity
Keywords
superionic conductivity, lithium superionic conductors, lithium ion mobility, lithium-ion batteries, solid electrolytes, high-throughput materials discovery, activation energy

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