Beyond the Bulk: Modelling Interfaces and Ion Transport in Solid Electrolytes

Hosted by Caroline Dessent (caroline.dessent@york.ac.uk)

Ion transport is pivotal to the performance of energy technologies, particularly batteries, and therefore the journey to net-zero emissions. The materials that exhibit ion conduction in these technologies present stunning heterogeneity and a plethora of complicated ion diffusion mechanisms from which they often derive their functionality. This situation is further complicated when we begin to consider the nanostructures, microstructures and interfaces of these materials. Nevertheless, it is imperative to understand these mechanisms and interfaces, and their influence on the performance of ion conductors, in order to design next-generation materials and devices, as well as improving existing technologies.

In this presentation, I will discuss how atomic-scale simulations can help us in the understanding, design and improvement of next-generation solid electrolyte materials for solid-state batteries. In particular, I will present some of our recent work on the influence of grain boundaries on ion transport in different solid electrolyte families and how we can discriminate between the complex correlation factors that determine the characteristics of ion transport. The importance of the synergy between modelling and experiment in the development of new energy materials will also be disseminated.

• This event has been added to the Chemistry events calendar, if you wish to copy to your own personal calendar.