2024-03-28T23:01:45Z
https://nagoya.repo.nii.ac.jp/oai
oai:nagoya.repo.nii.ac.jp:02001915
2023-01-16T04:42:15Z
1939:1940:1941
Theoretical and Experimental Studies of KLi6TaO6 as a Li-Ion Solid Electrolyte
Suzuki, Nobuaki
Lee, Joohwi
Masuoka, Yumi
Ohta, Shingo
Kobayashi, Tetsuro
Asahi, Ryoji
open access
This document is the Accepted Manuscript version of a Published Work that appeared in final form in [Inorganic Chemistry], copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see [https://pubs.acs.org/articlesonrequest/AOR-NNXFZJ6PBHZ2B8UEG3Z8].”
We study a hexagonal oxide KLi6TaO6 (KLTO), proposed as a Li-ion solid electrolyte, by using a recently developed screening method. First-principles calculations predict that KLTO presents a good Li-ion conductivity (σLi) and a low activation energy (Ea). Li migration is enhanced by the presence of excess Li ions in the interstitial region via a kick-out mechanism. Our experimental results demonstrate that Sn-doped KLTO presents a conductivity of 1 × 10^–5 S cm^–1, a σLi of 6 × 10^–6 S cm^–1, and a relatively low Ea of 36 kJ mol^–1, which confirm the validity of the proposed screening method. Conversely, detailed analyses of the microstructure and X-ray diffraction patterns of KLTO samples indicate that a stable Li-excess condition is not achieved, therefore leaving potential improvement of the performance of KLTO as a Li-ion solid electrolyte by optimizing extrinsic doping and fabrication processes.
ACS Publications
2022-07-19
2021-07-19
eng
journal article
AM
http://hdl.handle.net/2237/0002001915
https://nagoya.repo.nii.ac.jp/records/2001915
https://doi.org/10.1021/acs.inorgchem.1c00902
0020-1669
Inorganic Chemistry
60
14
10371
10379
https://nagoya.repo.nii.ac.jp/record/2001915/files/KLTO_InorgChem_revised.pdf
application/pdf
1.6 MB
2022-07-19