2026-03-24 デルフト工科大学
<関連情報>
- https://www.tudelft.nl/en/stories/articles/modelling-lithium-ion-batteries-30-seconds-to-impact
- https://pubs.rsc.org/en/content/articlelanding/2025/ee/d5ee04131g
単結晶電極を一次粒子のネットワークとしてモデル化する Modeling single-crystal electrodes as a network of primary particles
Pierfrancesco Ombrini,Shakul Pathak,Dimitrios Ntagkras,Santosh K. Pal,Pranav Karanth,Fokko M. Mulder,Marnix Wagemaker,Martin Z. Bazant and Alexandros Vasileiadis
Energy & Environmental Science Published:08 Oct 2025
DOI:https://doi.org/10.1039/D5EE04131G
Abstract
Predicting lithium-ion battery behavior is critical for advancing next-generation energy storage. Conventional Doyle–Fuller–Newman models can simulate many materials, but they fail in phase-separating single-crystal systems, such as lithium iron phosphate (LiFePO4, LFP), where the electrical connectivity of primary particles limits charge transport. We redefine the electrode as a network of reactive primary particles, each governed by validated electrochemical kinetics and interconnected through tomographic-informed contact resistances. Without empirical tuning, the model predicts voltage responses of LiFePO4 electrodes across temperatures, rates, loadings, and dynamic load conditions using a single fitted physical parameter. It also captures and explains charge–discharge asymmetries and hysteresis. By bridging particle-scale physics up to cell-level performance, while retaining computational efficiency, this physics-based framework provides a foundation for the design, and control of single-crystal electrode systems.


