A stable electrolyte is critical for practical application of lithium–oxygen batteries (LOBs). Although the ionic conductivity and electrochemical stability of the electrolytes have been extensively investigated before, their oxygen solubility, viscosity, volatility, and the stability against singlet oxygen (¹O₂) still need to be comprehensively investigated to provide a full picture of the electrolytes, especially for an open system such as LOBs. Herein, a systematic investigation is reported on the localized high‐concentration electrolytes (LHCEs) using different fluorinated diluents in comparison with those of conventional electrolytes. The physical properties and activation energies for reactions with singlet oxygen (¹O₂) of these electrolytes are calculated by density functional theory. The electrochemical performances of LOBs using these electrolytes are compared. This study reveals that the correlation between the stability of the electrolytes and their physical and electrochemical properties depends strongly on the diluents in LHCEs. Therefore, it shines light on the rational design of new electrolytes for LOBs.

中文翻译：

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含氟稀释剂在锂氧电池局部高浓度电解液中的作用

稳定的电解质对于锂氧电池（LOB）的实际应用至关重要。尽管之前已经对电解质的离子电导率和电化学稳定性进行了广泛的研究，但仍需要对电解质的氧溶解度，粘度，挥发性和对单线态氧（¹ O ₂）的稳定性进行全面研究，以提供电解质的全貌，特别是对于开放系统，例如LOB。在此，与常规电解质相比，对使用不同氟化稀释剂的局部高浓度电解质（LHCE）进行了系统研究。与单线态氧（¹ O _2）反应的物理性质和活化能通过密度泛函理论计算这些电解质的）。比较了使用这些电解质的LOB的电化学性能。这项研究表明，电解质的稳定性与其物理和电化学性质之间的相关性在很大程度上取决于LHCE中的稀释剂。因此，它为LOB新型电解液的合理设计提供了参考。