Alessandra Serva

How fluorinated cyclic ether shapes localized high concentration electrolytes

Localized high concentration electrolytes (LHCEs) have emerged as a transformative choice, simultaneously exhibiting good electrochemical stability, sufficiently fast ionic transport, and improved rate capability. The design principle is to dilute the conventional electrolyte wit...

Overcoming Sampling Limitations Using Machine-Learned Interatomic Potentials: The Case of Water-in-Salt Electrolytes

Abstract Machine-learned interatomic potentials hold the promise to enable the modeling of highly concentrated liquids over meaningful time scales, far from reach for current ab initio electronic structure methods. Here we evaluate the performances of various MACE potentials in m...