Massachusetts USA

Mar 23, 2023 | link.aps.org | Zachary Goodwin |Michael McEldrew |Massachusetts USA |Boris Kozinsky

Abstract Conventional lithium-ion batteries, and many next-generation technologies, rely on organic electrolytes with multiple solvents to achieve the desired physicochemical and interfacial properties. The complex interplay between these properties can often be elucidated via the coordination environment of the cation. We develop a theory for the coordination shell of cations in nonaqueous solvent mixtures that can be applied with high fidelity, up to extremely high salt concentrations.