Exploring Pressure and Strain Effects in Argyrodite Solid Electrolytes for Enhanced Solid-State Batteries

The global shift towards sustainable energy solutions necessitates advancements in battery technology, prompting a transition from conventional lithium-ion batteries towards more efficient alternatives. Solid-state batteries have emerged as a promising candidate due to their potential for enhance safety, energy density, and lifespan. This research focuses on exploring the viability of argyrodite materials for solid-state battery applications through computational modelling techniques. Utilising tools such as ab initio molecular dynamics (AIMD) and density functional theory (DFT), the research investigates the effects of varying pressure and strain on the structural and electrochemical properties of argyrodite materials. Argyrodites demonstrate remarkable characteristics such as high ionic conductivity, wide electrochemical stability window and compatibility with various electrode materials. By elucidating the intricate relationships between material structure and battery performance, this research aims to highlight the potential of argyrodite materials as a key component in the development of next-generation solid state batteries. The utilisation of argyrodite materials could lead to significant improvements in battery efficiency, cycle life, and safety, thereby accelerating the transition towards sustainable energy solutions.