离子电导率
电导率
离子键合
电解质
快离子导体
电化学
卤素
化学稳定性
离子
材料科学
无机化学
化学
物理化学
电极
有机化学
烷基
作者
Eveline van der Maas,Wenxuan Zhao,Zhu C,Theodosios Famprikis,Michel Thijs,Steven R. Parnell,Swapna Ganapathy,Marnix Wagemaker
标识
DOI:10.1021/acs.jpcc.2c07910
摘要
Li3YX6 (X = Cl, Br) materials are Li-ion conductors that can be used as solid electrolytes in all solid-state batteries. Solid electrolytes ideally have high ionic conductivity and (electro)chemical compatibility with the electrodes. It was proven that introducing Br to Li3YCl6 increases ionic conductivity but, according to thermodynamic calculations, should also reduce oxidative stability. In this paper, the trade-off between ionic conductivity and electrochemical stability in Li3YBr x Cl6-x halogen-substituted compounds is investigated. The compositions of Li3YBr1.5Cl4.5 and Li3YBr4.5Cl1.5 are reported for the first time, along with a consistent analysis of the whole Li3YBr x Cl6-x (x = 0-6) tie-line. The results show that, while Br-rich materials are more conductive (5.36 × 10-3 S/cm at 30 °C for x = 4.5), the oxidative stability is lower (∼3 V compared to ∼3.5 V). Small Br content (x = 1.5) does not affect oxidative stability but substantially increases ionic conductivity compared to pristine Li3YCl6 (2.1 compared to 0.049 × 10-3 S/cm at 30 °C). This work highlights that optimization of substitutions in the anion framework provide prolific and rational avenues for tailoring the properties of solid electrolytes.
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