Li-richening strategy in Li2ZrCl6 lattice towards enhanced ionic conductivity

doi:10.1016/j.jechem.2023.01.008

Abstract

Abstract: All-solid-state Li batteries (ASSLBs) with solid-state electrolytes (SSEs) are exciting candidates for next-generation energy storage and receive considerable attention owing to their reliability. Halide SSEs are promising candidates due to their excellent stability against 4 V-class layered cathodes. Compared with Li₃InCl₆ or Li₃ScCl₆, the low ionic conductivity of Li₂ZrCl₆ (LZC) is a challenge despite its low raw-material cost. Herein, we report a family of Li-Richened chloride, Li₂₊₂_xZr_1-_xM_xCl₆, which can be used in high-performance ASSLBs owing to its high ionic conductivity (up to 0.62 mS cm^-1). The theoretical (ab initio molecular dynamics simulations) and experimental results prove that the strategy of aliovalent substitu-tion with divalent metals to obtain Li-Richened LZC is effective in improving Li⁺ conductivity in SSEs. By combining Li_2.1Zr_0.95Mg_0.05Cl₆ (Mg5-LZC) with a Li-In anode and a LiCoO₂ cathode, a room-temperature ASSLBs with excellent long-term cycling stability (88% capacity retention at 0.3C for 100 cycles) and high-rate capability (121 mA h g^-1 at 1C) is reported. This exploratory work sheds light on improving the Li⁺ conductivity of low-cost LZC-family SSEs for constructing high performance ASSLBs.

Key words: Li-richening, Li₂ZrCl₆, Halide solid electrolyte, All-solid-state battery, Solid electrochemistry, Li⁺ conductivity

Haochang Zhang, Zhaozhe Yu, Hannan Chen, Yongjian Zhou, Xiao Huang, Bingbing Tian. Li-richening strategy in Li₂ZrCl₆ lattice towards enhanced ionic conductivity[J]. Journal of Energy Chemistry, 2023, 79(4): 348-356.

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URL: https://www.jenergychem.com/EN/10.1016/j.jechem.2023.01.008

https://www.jenergychem.com/EN/Y2023/V79/I4/348

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Li-richening strategy in Li₂ZrCl₆ lattice towards enhanced ionic conductivity

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