The Structure Dynamics Dyad in Concentrated Aqueous Electrolytes

Concentrated aqueous electrolytes, so called water-in-salt solutions, are emerging new materials for high-voltage batteries. Although long-studied, concentrated electrolytes exhibit multiple lengthscale organizational behavior in their neutron and X-ray scattering pair distribution functions, the origin of which can be challenging to interpret. At the same time, recent work studying the dynamic behavior of ions and water (using quasi elastic neutron scattering, NMR, and optical Kerr effect spectroscopy) are revealing distinctive multiscale dynamic behavior. The connection between solution structure and dynamics is essential toward the rational design of electrolyte compositions designed to optimize transport and energy density characteristics. This work will describe our combined efforts to understand this “structure dynamics dyad” using atomistic simulations, predictive characterization and applied mathematics.