Isovalent multi-component doping strategy for stabilizing cubic-Li7La3Zr2O12 with excellent Li mobility
- Authors
- Lee, Han Uk; Han, Seungmin; Lee, Dong Geon; Ko, Hyunseok; Lee, Juhyun; Im, Won Bin; Song, Taeseup; Choi, Junghyun; Cho, Sung Beom
- Issue Date
- Sep-2023
- Publisher
- ELSEVIER SCIENCE SA
- Keywords
- All-solid-state battery; Solid-state electrolyte; Multi-component alloy; Reduction sintering temperature
- Citation
- CHEMICAL ENGINEERING JOURNAL, v.471
- Journal Title
- CHEMICAL ENGINEERING JOURNAL
- Volume
- 471
- URI
- https://scholarworks.bwise.kr/gachon/handle/2020.sw.gachon/91860
- DOI
- 10.1016/j.cej.2023.144552
- ISSN
- 1385-8947
1873-3212
- Abstract
- Stabilizing the cubic phase of Li7La3Zr2O12 (LLZO) through doping has been a challenging issue, as conventional aliovalent dopants often decrease Li ion mobility and induce unwanted phase transformations. In this study, a novel multi-component doping strategy is proposed that stabilizes the cubic phase of LLZO while maintaining high Li ion mobility. The practical isovalent ions and their combinations are screened using density-functional theory (DFT) calculations and ab-initio molecular dynamics (AIMD) simulations, identifying the most stable multi-component alloy configuration that can stabilize the robust cubic phase of LLZO. Our results demonstrate that the proposed Li7La3(Zr, Hf, Ce, Ru)2O12 composition has a stable cubic phase at low temperatures, which we validated through experimental synthesis. Our proposed doping strategy has the potential to advance the development of high-performance all-solid-state batteries.
- Files in This Item
- There are no files associated with this item.
- Appears in
Collections - ETC > 1. Journal Articles
![qrcode](https://api.qrserver.com/v1/create-qr-code/?size=55x55&data=https://scholarworks.bwise.kr/gachon/handle/2020.sw.gachon/91860)
Items in ScholarWorks are protected by copyright, with all rights reserved, unless otherwise indicated.