Rechargeable batteries are a key enabling technology for the transition toward sustainable energy systems and the widespread adoption of electric mobility. In particular, solid-state batteries based on lithium metal anodes and ceramic electrolytes such as LLZO offer significant advantages over conventional lithium-ion batteries, including higher energy density and improved safety. However, their practical implementation remains limited by critical reliability challenges, most notably the formation and propagation of lithium dendrites within the solid electrolyte.
Lithium dendrites are filament-like structures that can grow through the electrolyte during battery operation, leading to mechanical degradation, crack formation, and ultimately short-circuiting. Despite extensive research efforts, the fundamental mechanisms governing dendrite initiation and growth in solid electrolytes are not yet fully understood, particularly in the presence of microstructural features such as grain boundaries and defects.
The Den-LLZO project addresses this challenge by aiming to provide a comprehensive and physically grounded understanding of dendrite-induced failure mechanisms in LLZO. The central objective of the project is to identify the critical conditions that lead to dendrite formation and propagation, and to develop predictive modelling tools that can support the design of more reliable solid-state battery materials.
To achieve this, the project adopts a multiscale computational approach that combines atomistic simulations of lithium transport with continuum-level modelling of electro-chemo-mechanical processes. At the atomistic level, lithium diffusion behaviour is investigated in structurally complex environments, while at larger scales, phase-field modelling is used to describe the interaction between lithium accumulation, stress evolution, and crack propagation.
By bridging different length scales and physical processes, the project aims to provide a unified framework for understanding how microscopic transport phenomena translate into macroscopic failure. This integrated approach enables the identification of key factors controlling dendrite-driven degradation and provides insight into how material design and microstructural features influence battery performance.
The expected impact of the Den-LLZO project is to contribute to the development of safer and more reliable solid-state batteries by improving the understanding of their failure mechanisms. In a broader context, this supports ongoing efforts toward sustainable energy technologies, facilitates the adoption of electric vehicles, and contributes to reducing greenhouse gas emissions and dependence on fossil fuels.
