MODelling of Advanced LI Storage Systems

Risultati finali

Project presentation and brochure (for distribution)

Project information both for stakeholders in the area and the general public.

Project website maintained by the partners to publish project information, publications and results.

The report will present the novel functionalities achieved by the new simulation toolchain

The report will summarize the main results of the project The document will be distributed to relevant stakeholders and will also be available for the public ion the project website

Production of a Guideline to optimize material production design of active materials

The Guideline should explain what type of key characteristics should be carefully decided while working of Gen 4 active material This guideline should allow cell maker to optimize the catholyte cathode solid electrolyte mixture depending on the solid electrolyte chosen polymer sulphide ceramic

Data Management Plan (DMP)

Document for the EC Open Research data Base

Pubblicazioni

From Atom to Anode: the MODALIS2 multiscale approach to modelling Si/C anodes for lithium-ion batteries

Autori: Fabrizio Silveri, Andrea Bertinetti, Alessio Tommasi, Jerome Bikard, Martin Petit, Lorenzo Maschio, Mauro Sgroi, Gaetan Damblanc
Pubblicato in: ESPA22, 2022
Editore: ESPA conference 2022

My ab initio adventure in Li-ion materials

Autori: Lorenzo Maschio
Pubblicato in: Seminar at the Humboldt University, Berlin, 2023
Editore: Humboldt University

Diffusion Coefficient of Lithium in Cathode Materials for LithiumIon Batteries from DFT, Metadynamics and Post-HF

Autori: Laura Bonometti, Anna Ferrari, Mauro Sgroi, Lorenzo Maschio
Pubblicato in: ICQC23, 2023
Editore: ICQC2023

From Atom to Anode: the MODALIS2 multiscale approach to modelling Si/C anodes for lithium-ion batteries

Autori: Fabrizio Silveri, Andrea Bertinetti, Alessio Tommasi, Martin Petit, Vivien Esnault, Jerome Bikard, Chen Zhao, Lorenzo Maschio, Mauro Sgroi, Gaetan Damblanc, Franck Sellier
Pubblicato in: Power our Future, 2022
Editore: PoF Conference 2022

Innovate with the next generation of battery modelling

Autori: Xavier Conqui, Martin Petit
Pubblicato in: 2022
Editore: Siemens Software

From symmetry breaking in the bulk to phase transitions at the surface: a quantum-mechanical exploration of Li<sub>6</sub>PS<sub>5</sub>Cl argyrodite superionic conductor

Autori: Maddalena D'Amore; Loredana Edith Daga; Riccardo Rocca; Mauro Francesco Sgroi; Naiara Leticia Marana; Silvia Maria Casassa; Lorenzo Maschio; Anna Maria Ferrari
Pubblicato in: Physical Chemistry Chemical Physics, Numero 24, 2022, Pagina/e 22978-22986, ISSN 1463-9076
Editore: Royal Society of Chemistry
DOI: 10.1039/d2cp03599e

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

Autori: Naiara Leticia Marana; Mauro Francesco Sgroi; Lorenzo Maschio; Anna Maria Ferrari; Maddalena D’Amore; Silvia Casassa
Pubblicato in: Nanomaterials; Volume 12; Numero 16; Pages: 2795, 2022, ISSN 2079-4991
Editore: MDPI
DOI: 10.3390/nano12162795

MODALIS² PROJECT : DEVELOPMENT OF A MODELLING TOOLCHAINFOR NEXT GENERATION BATTERIES

Autori: Petit, Martin
Pubblicato in: Batteries Event 2021, 2021
Editore: Batteries Event

STRUCTURAL AND ELECTRONIC PROPERTIES OF SULFUR-BASED COMPOUNDS FOR SOLID STATE LI BATTERIES.

Autori: Sgroi M.F, Bonometti L. , Casassa S., D’Amore M., Ferrari A. M., Marana N.L., Maschio L., Rocca R., Silveri F.
Pubblicato in: IWES2023, 2023
Editore: IWES2023

MODALIS² PROJECT: MULTISCALE AND MULTIPHYSICS APPROACHFOR NEXT GENERATION BATTERIES MODELLING

Autori: Petit, Martin, Esnault, Vivien, Bikard, Jerôme, Silveri, Fabrizio, Bertinetti, Andrea, Tommasi, Alessio, Maschio, Lorenzo, Rocca, Riccardo, Damblanc, Gaétan, Sellier, Franck
Pubblicato in: OBMS23, 2023
Editore: University of Oxford

USE OF A MULTISCALE/MULTIPHYSICS APPROACH FOR GEN 3BLI-ION BATTERIES MODELLING IN A SIMULATION TOOLCHAIN

Autori: Petit, Martin
Pubblicato in: ISE22 Aachen, 2022
Editore: ISE

Morphology map of β-Li3PS4 nanocrystal by Wulff theory

Autori: N. Marana, S. Casassa, M. Sgroi, A. Ferrari, and L. Maschio
Pubblicato in: ESPA22, 2022
Editore: ESPA22 conference

Theoretical study of the interface between solidelectrolyte and electrode: the case of (100)-Li3PS4/(110)-Li2S

Autori: Naiara L. Marana, Silvia Casassa, Mauro F. Sgroi, Anna Ferrari, and Lorenzo Maschio
Pubblicato in: DFT2022, 2022
Editore: DFT2022 conference

NONUNIFORM DEGRADATION OF LITHIUM-ION BATTERIES –3D MODELING

Autori: STEFAN HERBERICH, CHAD BALEN, GAETAN DAMBLANC, CHRISTIAN FISCHER-WALCHSHOFER, BORIS KALUDERCIC
Pubblicato in: NordBatt2022, 2022
Editore: Chalmers University of Technology

Modelling of advanced lithium storage systems

Autori: Laura Bonometti, Lorenzo Maschi
Pubblicato in: 2022
Editore: University of Torino

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