Power and Energy Tradeoffs in Li-Air Batteries: The Importance of Electrolyte Dynamics

摘要

1. Electrolyte selection and design a. Reactant transport (particularly O_2) impacts power/energy in Li-air systems b. Simulation helps to understand the role of molecular interactions c. Screening and prediction of properties is possible with experimental validation 2. Suite of simulation tools to screen electrolytes a. Diffusivity - large scale molecular dynamics b. Solubility - free energy of solvation c. Electrolyte interactions - radial density functions d. Macro-distributions - finite element model 3. Techniques applicable to Li-ion and other beyond Li-ion chemistries.