Creation, Evolution, and Characterization of SEI in Li-Metal Batteries Using Ab Initio Techniques
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We report our recent findings in the study of the creation, evolution, characterization and simulation of solid electrolyte interphases (SEI) using first principles theoretical-computational techniques. Our simulations are performed on a nanobattery model that allow us to study the charge of a battery under the effect of an external electric field. Our analyses include both, liquid and solid-state, electrolytes under the presence and effects of realistic anodes and cathodes. A large variety of details will be presented, including speciation at interfaces, conductivities, energetics, phase formation, among others.
