Interface Amorphization ─ Driven Fracture Toughness Improvement and Charge Redistribution for Dendrite Suppression

(LLZO) stands out due to its superior room-temperature ionic conductivity and chemical stability. However, challenges such as lithium dendrite formation persist, particularly along the interface and grain boundaries in LLZO. This study illustrates a method to enhance the stability of all-solid-state batteries by interfacial amorphization. Through computational modeling, we demonstrate that amorphous regions exhibit lower electron capture ability compared to interfaces, effectively suppressing lithium dendrite growth. In addition, compared with the interface structure, the structure without interface exhibits excellent mechanical properties, with higher energy requirements for fracture, enhancing resistance to crack propagation during charging/discharging cycles. In summary, we established a computational model from micro to mesoscopic scales, illustrating that interface amorphization can effectively enhance interface stability, which provides insights into interface issues in all-solid-state lithium metal batteries.