Designing lithium halide solid electrolytes

All-solid-state lithium batteries have attracted widespread attention for next-generation energy storage, potentially providing enhanced safety and cycling stability. The performance of such batteries relies on solid electrolyte materials; hence many structures/phases are being investigated with increasing compositional complexity. Among the various solid electrolytes, lithium halides show promising ionic conductivity and cathode compatibility, however, there are no effective guidelines when moving toward complex compositions that go beyond ab-initio modeling. Here, we show that ionic potential, the ratio of charge number and ion radius, can effectively capture the key interactions within halide materials,…

• NN
  National Natural Science Foundation of China

  Awards: XDB33000000, 51991344
• CA
  Chinese Academy of Sciences

  Award: XDB33000000
• NO
  Nederlandse Organisatie voor Wetenschappelijk Onderzoek

  Award: 16122
• GP
  Guangdong Provincial Pearl River Talents Program

  Award: 2017BT01N111