Energy Material Advances / 2021 / Article / Fig 4

Research Article

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

Figure 4

Salt atom and anode position vs. time for EC with (a) Ca(BH4)2, (b) Ca(BF4)2, (c) Ca(BCl4)2, and (d) Ca(ClO4)2, as well as THF with analogous salts (e–h). Sample decomposition products are shown from (i) EC/Ca(BCl4)2, (j) THF/Ca(BCl4)2, and (k) THF/Ca(ClO4)2.