@article{oai:nagoya.repo.nii.ac.jp:02001915,
 author = {Suzuki, Nobuaki and Lee, Joohwi and Masuoka, Yumi and Ohta, Shingo and Kobayashi, Tetsuro and Asahi, Ryoji},
 issue = {14},
 journal = {Inorganic Chemistry},
 month = {Jul},
 note = {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.},
 pages = {10371--10379},
 title = {Theoretical and Experimental Studies of KLi6TaO6 as a Li-Ion Solid Electrolyte},
 volume = {60},
 year = {2021}
}