Supplementary Materials

Room-temperature cycling of metal fluoride electrodes: Liquid electrolytes for high-energy fluoride ion cells

Victoria K. Davis, Christopher M. Bates, Kaoru Omichi, Brett M. Savoie, Nebojša Momčilović, Qingmin Xu, William J. Wolf, Michael A. Webb, Keith J. Billings, Nam Hawn Chou, Selim Alayoglu, Ryan K. McKenney, Isabelle M. Darolles, Nanditha G. Nair, Adrian Hightower, Daniel Rosenberg, Musahid Ahmed, Christopher J. Brooks, Thomas F. Miller III, Robert H. Grubbs, Simon C. Jones

Materials/Methods, Supplementary Text, Tables, Figures, and/or References

Download Supplement
  • Materials and Methods
  • Supplementary Text
  • Figs. S1 to S20
  • Tables S1 to S4
  • Caption for data S1
  • References
Data S1
This directory provides access to example inputs and force-field parameters that are employed in the molecular dynamics simulations. The first level of the directory tree indicates the solvent. Within each solvent directory, there are additional folders that indicate the studied ion. Within each ion-labeled directory, the *.data file is a typical LAMMPS data file, the *in.init is a LAMMPS input file that defines the simulation conditions, the *in.settings file is an auxiliary file that reports force-field parameters, and the *.map file provides information on each of the simulated atoms.