Publications

 

10/22: Nonuniform degradation of lithium-ion batteries – 3D modelling

  • Author(s): Stefan Herberich, Chad Balen, Gaetan Damblanc, Christian Fischer-Walchshofer, Boris Kaludercic
  • Partner: SIEMENS INDUSTRY SOFTWARE (SISW)IFPEN
  • Published: 5th NordBatt conference
  • Poster presentation

 

10/22: Si/C electrode multiscale modelling from atoms to cells

  • Author(s): Martin Petit
  • Partner: IFPEN
  • Presented: Workshop @ Polytechnique school in Palaiseau
  • Presentation

 

09/22: From symmetry breaking in the bulk to phase transitions at the surface: a quantum-mechanical exploration of Li6PS5Cl argyrodite superionic conductor

  • Author(s): Maddalena D‘Amorea, Loredana Edith Dagaa, Riccardo Roccaa, ba, Mauro Francesco Sgroib, Naiara Leticia Maranaa, Silvia Maria Casassaa, Lorenzo Maschioa, Anna Maria Ferraria
  • Partner: aDipartimento di Chimica, Università di Torino (UNITO), bCentro Ricerche FIAT S.C.p.A. (CRF)
  • Published: Physical Chemistry Chemical Physics, 2022, 24, 22978-22986
  • https://pubs.rsc.org/en/content/articlehtml/2022/cp/d2cp03599e

 

08/22: Computational Characterization of β-Li3PS4 Solid Electrolyte: From Bulk and Surfaces to Nanocrystals

  • Author(s): Naiara Leticia Marana, Mauro Francesco Sgroi, Lorenzo Maschio, Anna Maria Ferrari, Maddalena D’Amore, Silvia Casassa
  • Partner: UNITO, CRF
  • Published: Nanomaterials, 12(16), 2795
  • https://www.mdpi.com/2079-4991/12/16/2795

 

08/22: Theoretical study of the interface between solid electrolyte and electrode: the case of (100)-Li3PS4/(110)-Li2S

  • Author(s): Naiara L. Marana, Silvia Casassa, Mauro F. Sgroi, Anna Ferrari, Lorenzo Maschio
  • Partner: UNITO, CRF
  • Published: 19th International Conference on Density Functional Theory and its Applications (Brussels, 28.8-2.9.2022)
  • Poster presentation

 

06/22: Morphology map of β-Li3PS4 nanocrystal by Wulff theory

  • Author(s): Naiara Leticia Marana, Silvia Casassa , Mauro Francesco Sgroi, Anna Maria Ferrari, Lorenzo Maschio
  • Partner: UNITO, CRF
  • Published: Electronic Structure Principles and Applications (ESPA22)
  • Poster presentation

 

05/22: Use of a multiscale/multiphysics approach for Gen 3b Li-ion batteries modelling in a simulation toolchain

  • Author(s): Martin Petit, Vivien Esnault, Jerome Bikard, Chen Zhao, Fabrizio Silveri, Andrea Bertinetti, Lorenzo Maschio, Mauro Sgroi, Gaetan Damblanc, Franck Sellier
  • Partner: IFPEN, Solvay, Gemmate, Unito, CRF, SISW
  • Published: 31st ISE Topical Meeting
  • Presentation

 

03/22: MODALIS² Project Presentation

  • Author(s): Martin Petit
  • Partner: IFPEN
  • Presented: H2020RTR21
  • Presentation

 

 

Deliverables