Mathematical modelling of lithium-ion batteries

Lithium-ion batteries are among the best energy storage devices for mobile applications. However, both energy/power densities, lifetime and safety need to be further optimised. We apply first-principle models, based on mass, charge and energy conservation, in order to describe the interplay between electrochemical phenomena, degradation mechanisms and microstructure at the single particle, electrode and cell levels.

Main activities on this topic:

  • thermo-electrochemical simulation of electrodes and single cells, from 1D to 3D
  • investigation of degradation phenomena (SEI formation, lithium plating, dendrite growth)
  • advanced electrode microstructures for improved energy/power density
  • optimisation of charge profiles
  • physically-based interpretation of experimental discharge curves

Research group
Dr. Antonio Bertei, Marco Lagnoni, Prof. Roberto Mauri, Prof. Cristiano Nicolella

External collaborations:
Dr. Xuekun Lu, National Physics Laboratory & University College London (UK),
Dr. Chih-Che Chueh, National Cheng Kung University (Taiwan),
Prof. Martin Z. Bazant, MIT (USA)


  • Experimental and numerical characterization and optimization of the microstructure of advanced/hierarchical porous media with application to fuel cells and batteries, Ministry of Science and Technology (Taiwan) grant no. MOST 108-2218-E-006-028-MY3 (2019-2021)
  • Tuscany project for the eco-compatible navigation (PROT-ONE), Tuscany Region (Italy) FAR-FAS 2014, CUP 4421.02102014.07200099 (2015-2019)

Main publications:

  • Zhang, D., Bertei, A., Tariq, F., Brandon, N., Cai, Q., Progress in 3D electrode microstructure modelling for fuel cells and batteries: transport and electrochemical performance (2019), Progress in Energy, 1, 012003
  • Bertei, A., Mauri, R., Chueh, C.-C., Advanced microstructures for electrochemical energy systems: a modelling perspective (2019), IEEE Trans., 208-212
  • Bertei, A., Landucci, G., Nicolella, C., Safety assessment of scenarios triggered by accidental seawater immersion of lithium batteries in innovative naval applications (2018), Chem. Eng. Trans., 67, 151-156