Energy Material Advances / 2021 / Article / Fig 2

Research Article

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

Figure 2

C (black), O (red), and Ca (blue) position vs. time for (a) pure EC and (b) pure THF on Ca anode. Corresponding starting and ending simulation snapshots are provided in (c) and (d), respectively. The common, two-step decomposition of EC (e) is contrasted with the lesser-seen concerted mechanism (f).