Accessing Structural, Electronic, Transport and Mesoscale Properties of Li-GICs via a Complete DFTB Model with Machine-Learned Repulsion Potential

AnniƩs, Simon; Panosetti, Chiara (Corresponding author); Voronenko, Maria; Mauth, Dario; Rahe, Christiane; Scheurer, Christoph

Basel : MDPI (2021)
Contribution to a book, Journal Article

In: Materials
Volume: 14
Issue: 21
Page(s)/Article-Nr.: 6633


  • Chair of Power Electronics and Electrical Drives [614510]
  • Chair of Electrochemical Energy Conversion and Storage Systems [618310]