LiYX (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 LiYCl 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 LiYBr Cl halogen-substituted compounds is investigated. The compositions of LiYBrCl and LiYBrCl are reported for the first time, along with a consistent analysis of the whole LiYBr Cl ( = 0-6) tie-line. The results show that, while Br-rich materials are more conductive (5.36 × 10 S/cm at 30 °C for = 4.5), the oxidative stability is lower (∼3 V compared to ∼3.5 V). Small Br content ( = 1.5) does not affect oxidative stability but substantially increases ionic conductivity compared to pristine LiYCl (2.1 compared to 0.049 × 10 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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| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9841563 | PMC |
| http://dx.doi.org/10.1021/acs.jpcc.2c07910 | DOI Listing |
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