HEИндивидуална стипендия2024–2025

Den-LLZO · Understanding the origins of dendrite formation and growth in LLZO solid electrolytes

„Хоризонт Европа“ — Действия „Мария Склодовска-Кюри“

Период
2024-01-01 → 2025-12-31
Финансиране от ЕС
214 934 €
Участници
2
Схема
HORIZON-TMA-MSCA-PF-EF

Линиите свързват координатора с партньорите.

Накратко на български

Литиевите дендрити – нишковидни структури, които се образуват в керамичните електролити (LLZO), се изследват чрез компютърно моделиране. Разбирането на тези процеси помага за създаването на по-безопасни твърдотелни батерии с по-висока енергийна плътност.

Този кратък обзор е генериран от изкуствен интелект

Кратко обяснение, генерирано от езиков модел по текста на CORDIS. Оригиналът е по-долу.

Резултати накратко

Understanding the origins of dendrite formation and growth in LLZO solid electrolytes

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.

Текст от CORDIS, на английски · Данни: CORDIS, © Европейски съюз

Цел на проекта

Rechargeable lithium-ion batteries have gained crucial importance for energy storage systems due to their high energy and power density, reliability and cyclability. Solid-state electrolytes provide a promising alternative for highly flammable conventional liquid electrolytes, as they offer high thermal stability, high conductivity and improved safety. Dendrite formation and growth through solid electrolyte is one of the main challenges, critically reducing the performance of Li batteries due to battery short circuit. However, the origins of dendrite formation and parameters affecting its growth rate are still unclear. It has been hypothesized that internal defects such as cracks, and grain boundaries serve as potential nucleation sites for dendrite formation as Li transports through solid electrolytes. The objective of Den-LLZO project is to obtain a fundamental understanding the origin of dendrite formation and growth in the vicinity of the microstructural features. Den-LLZO project aims to use atomic scale simulations to establish a mechanism map for dendrite formation in the presence of microstructural defects and to develop continuum models to predict the dendrite nucleation and growth rate in solid electrolytes. In the first phase, we perform first-principle and molecular dynamics simulations to identify when, how and to what extent different internal defects trigger dendrite formation and growth. The second phase seeks to develop predictive continuum models, informed through atomic scale simulations, for monitoring dendrite nucleation and growth in solid electrolytes. The ambitious goal of Den-LLZO project is to propose design principles for suppressing dendrite formation in solid electrolytes, resulting in improved lithium-ion battery performance and lifetime, and hence facilitated transition toward renewable energy.

Оригинален текст от CORDIS (на английски).

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Данни: CORDIS, © Европейски съюз