Toward High-Voltage Lithium-Metal Batteries with Aliphatic Dinitrile Additives: A Multiscale Theoretical Study.
Developing electrolytes compatible with high-voltage operation is critical for high-energy-density lithium metal batteries. Aliphatic dinitriles, owing to the ability of cyano groups to stabilize cathode interfaces and suppress transition metal dissolution, are promising high-voltage electrolyte additives; however, str...