Effect of Internal Donors on Raman and IR Spectroscopic Fingerprints of MgCl(2)/TiCl(4) Nanoclusters Determined by Machine Learning and DFT

por D’Amore, Maddalena, Taniike, Toshiaki, Terano, Minoru, Ferrari, Anna Maria
Publicado 2022

Disordered Rock-Salt Type Li(2)TiS(3) as Novel Cathode for LIBs: A Computational Point of View

por Rocca, Riccardo, Sgroi, Mauro Francesco, Camino, Bruno, D’Amore, Maddalena, Ferrari, Anna Maria
Publicado 2022

Computational Characterization of β-Li(3)PS(4) Solid Electrolyte: From Bulk and Surfaces to Nanocrystals

por Marana, Naiara Leticia, Sgroi, Mauro Francesco, Maschio, Lorenzo, Ferrari, Anna Maria, D’Amore, Maddalena, Casassa, Silvia
Publicado 2022

Understanding Ionic Diffusion Mechanisms in Li(2)S Coatings for Solid-State Batteries: Development of a Tailored Reactive Force Field for Multiscale Simulations

por D’Amore, Maddalena, Yang, Moon Young, Das, Tridip, Ferrari, Anna Maria, Kim, Minho M., Rocca, Riccardo, Sgroi, Mauro, Fortunelli, Alessandro, Goddard, William A.
Publicado 2023