Energy Material Advances / 2021 / Article / Fig 6

Research Article

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

Figure 6

Charge evolution over time for systems of neutral EC in the first column (a–c), neutral THF in the second column (d–f), and gradually reduced THF in the third column (g–i). Each row displays different values: in a descending order, these are the total charge on all solvent molecules, mobile anode atoms, and fixed anode atoms; the individual charge of each solvent molecule; and average charge on C, H, and O atoms.