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학술지 Synergistic Multi-Doping Effects on the Li7La3Zr2O12 Solid Electrolyte for Fast Lithium Ion Conduction
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신동옥, 오경배, 김광만, 박규영, 이병주, 이영기, 강기석
Scientific Reports, v.5, pp.1-9
Nature Publishing Group
14PB4300, 중대형 전고체 리튬이차전지용 유무기 하이브리드 고체전해질, 이영기
Here, we investigate the doping effects on the lithium ion transport behavior in garnet Li7La3Zr2O12 (LLZO) from the combined experimental and theoretical approach. The concentration of Li ion vacancy generated by the inclusion of aliovalent dopants such as Al3+ plays a key role in stabilizing the cubic LLZO. However, it is found that the site preference of Al in 24d position hinders the three dimensionally connected Li ion movement when heavily doped according to the structural refinement and the DFT calculations. In this report, we demonstrate that the multi-doping using additional Ta dopants into the Al-doped LLZO shifts the most energetically favorable sites of Al in the crystal structure from 24d to 96 h Li site, thereby providing more open space for Li ion transport. As a result of these synergistic effects, the multi-doped LLZO shows about three times higher ionic conductivity of 6.14 × 10-4 S cm-1 than that of the singly-doped LLZO with a much less efforts in stabilizing cubic phases in the synthetic condition.
KSP 제안 키워드
Al-doped, Dft calculations, Doping effects, Heavily doped, Ion movement, Ion transport, Ion vacancy, Key role, Li-ion, Lithium ion conduction, Multi-doping