Effects of three-dimensional cathode microstructure on the performance of lithium-ion battery cathodes

Andreas H. Wiedemann, Graham M. Goldin, Scott A Barnett, Huayang Zhu, Robert J. Kee*

*Corresponding author for this work

Research output: Contribution to journalArticle

92 Scopus citations


This paper develops a computational model that resolves the complex three-dimensional microstructure of Li-ion battery cathodes. The microstructural geometry is reconstructed from focused-ion-beam-scanning-electron-microscopy (FIB-SEM) experiments. Raw data from FIB-SEM experiments are processed into finite-volume discretizations that are directly suited for three-dimensional computational simulation. The model represents transport and electrochemistry within the solid phase of the electrode structure. The results predict the temporally and spatially varying Li concentrations and electrostatic potentials within the solid-phase electrode material (e.g., LiCoO2) as functions of discharge rate. The models predict global discharge characteristics that are consistent with experiment. Moreover, the results reveal significant three-dimensional spatial variations within the actual electrode structure that cannot be predicted with models based on idealized microstructures such as spherical electrode particles.

Original languageEnglish (US)
Pages (from-to)580-588
Number of pages9
JournalElectrochimica Acta
StatePublished - Jan 15 2013


  • Cathode microstructure
  • Li-ion battery
  • Three-dimensional model

ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Electrochemistry

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