Fig. 7: Surface composition analysis of the SEI formed on Cu electrodes and the related solvation structure of the electrolytes.
From: A dicarbonate solvent electrolyte for high performance 5 V-Class Lithium-based batteries
a–c In-depth composition profiles for various durations of Ar+ sputtering of the SEI formed on Cu/Li electrodes cycled in (a) 1 M-LPF-DMC, (b) 1 M-LPF-EC/DMC and (c) 1 M-LPF-DMDOHD electrolytes. Snapshots of the molecular dynamics simulation box and the simplified 20 Li+-coordination environment structures for 1 M-LPF-EC/DMC (d) and 1 M-LPF-DMDOHD (e) electrolytes. Atom colors: Li, green; C, dark gray; O, red; P, purple; F, light blue. The cubic boxes represent the periodic boundaries of the supercells used in the molecular dynamic simulations.
