Energy Material Advances / 2021 / Article / Fig 1

Research Article

A Computational Comparison of Ether and Ester Electrolyte Stability on a Ca Metal Anode

Figure 1

Sample simulation cells for AIMD trajectories of (a) THF with Ca(BCl4)2 and (b) pure THF alongside (c) individual THF and EC molecules. These cells are representative of all systems with and without salt, respectively.