Disorder-induced enhancement of lithium-ion transport in solid-state electrolytes

Abstract Enhancing the ion conduction in solid electrolytes is critically important for the development of high-performance all-solid-state lithium-ion batteries (LIBs). Lithium thiophosphates are among the most promising solid electrolytes, as they exhibit superionic conductivity at room temperature. However, the lack of comprehensive understanding of their ion conduction mechanism, especially the effect of structural disorder on ionic conductivity, is a long-standing problem that limits further innovations in all-solid-state LIBs. Here, we address this challenge by establishing and employing a deep learning potential to simulate Li 3 PS 4 electrolyte systems with varying levels of disorder. The results show…

• EC
  European Commission

  Award: 101044664
• NN
  National Natural Science Foundation of China

  Award: 52108259
• AU
  Aalborg Universitet
• CS
  China Scholarship Council

  Award: 202106880010