The rechargeable lithium-ion (Li-ion) battery is now considered the technology of choice for energy storage in a wide array of portable electronic devices. However, its application is currently limited by its use of flammable and corrosive organic liquid electrolytes, which are known to pose a serious safety risk. As a result, in recent years, there has been a considerable push in the development of all-solid-state batteries and, in particular, the development of new solid electrolyte materials.

This project aims to design, synthesise and model new solid electrolyte materials for use in all-solid-state batteries. Understanding the often complex relationship between structure and functionality is key if the performance of both new and existing electrolytes is to be improved. During this project a number of different electrolyte materials, based on the garnet, anti-perovskite and spinel structures, will be prepared and characterised. To gain a comprehensive structural understanding, a number of complementary characterisation techniques will be used, including X-ray and neutron powder diffraction and multinuclear solid-state NMR spectroscopy. The effects of different synthetic methods and compositional doping will also be explored to determine their influence on the local structure and resulting conductivity. In addition, molecular dynamics and density functional theory simulations will be used alongside experimental methods to gain insight into feasible ion mobility mechanisms within such systems. The information gained will then be used to design new materials exhibiting optimal ion mobility.