Total scattering of Lithium Oxyhalides

All-solid-state batteries (ASSBs) are an emerging technology that can overcome several faults of current Li-ion batteries, including prevention of dendrites, increased stability and, importantly, the lack of a flammable electrolyte, increasing safety. Lithium halides are promising solid-state electrolyte materials due to their room-temperature high conductivity (1 m S/cm) and desirable mechanical properties. Oxyhalides LiNbxTayOCl4 (x+y = 1) and LiZrOCl3 are particularly intriguing as the introduction of O alters the coordination number of the transition metals. Understanding the local structure is crucial to understanding the conduction mechanism. Total scattering is powerful tool that can be used to determine the long-range and local structures simultaneously and will provide insights into the structure-conductivity relationship.