Towards a universal model for assessing the performance of battery materials at the level of single-particle behavior

Research output: Contribution to journalResearch articleContributedpeer-review

Contributors

  • Edgardo Maximiliano Gavilán-Arriazu - , Universidad Nacional de Cordoba (Author)
  • Andres Ruderman - , Universidad Nacional de Cordoba (Author)
  • Francisco Fernandez - , Universidad Nacional de Cordoba (Author)
  • Igor Baskin - , Technion-Israel Institute of Technology (Author)
  • Roman G. Fedorov - , Technion-Israel Institute of Technology (Author)
  • Jonas Schlaier - , Fraunhofer Institute for Ceramic Technologies and Systems (Author)
  • Sebastian Maletti - , Chair of Inorganic Non-Metallic Materials (Author)
  • Christian Heubner - , Fraunhofer Institute for Ceramic Technologies and Systems (Author)
  • Alexander Michaelis - , Chair of Inorganic Non-Metallic Materials, Fraunhofer Institute for Ceramic Technologies and Systems (Author)
  • Yair Ein-Eli - , Technion-Israel Institute of Technology (Author)
  • Ezequiel Pedro Marcos Leiva - , Universidad Nacional de Cordoba (Author)

Abstract

We provide a comprehensive approach to a methodology to evaluate the performance of lithium-ion batteries and related intercalation systems at the single-particle level, by constructing diagrammatic representations. The idea that underlies these methodologies is using two dimensionless/scaling parameters, which allow the evaluation of a series of experimental parameters and making predictions in a simple, fast and visual way. In both cases, the model considers the finite diffusion of ions in materials and the charge transfer at the electrode/electrolyte interface. The present work also aims to bring experimental single-particle measurements and single-particle models closer, providing the theoretical background necessary to deduce these scalable parameters, and may inspire more sophisticated theoretical developments in the future, considering other aspects of the nature of the composites. While revisiting relevant work in the area, the present work presents the following novel features: 1- It introduces new scaling kinetic parameter, which makes the diagrams independent of particle geometry. 2- It defines a new metric to evaluate the performance of electrode materials comparatively in terms of their diffusional and charge transfer properties. 3- It derives analytic limits to the behaviour of the model that are universal, in the sense that they do not depend on the intercalation isotherm of the material. 4- It applies artificial intelligence using a deep neural network trained to approximate the results of physics-based simulations, replicating the theoretical state of charge maps with excellent accuracy.

Details

Original languageEnglish
Article number145939
JournalElectrochimica acta
Volume523
Publication statusPublished - 20 May 2025
Peer-reviewedYes

External IDs

Scopus 85219733782

Keywords

Sustainable Development Goals

Keywords

  • Single particle, Fast charging, Universal model, Battery materials, Machine learning