作者: Sergey Pavlov , Valentina Danilova , Vyacheslav Sivakov , Sergey Kislenko
DOI:
关键词:
摘要: Li–O2 batteries attract great attention due to their promising theoretical energy density. One of the main obstacles on the way to achieving high energy density and good cyclability is positive electrode passivation by the Li2O2 discharge product as well as the presence of parasitic reactions that degrade electrode and electrolyte materials. To overcome these issues new electrolytes are being extensively searched for to ensure the bulk-mediated mechanism of the oxygen reduction reaction and inhibition of parasitic reactions. Different additives to organic solvents can significantly change the properties of electrolytes. This work is devoted to the effect of ionic liquids (ILs), which are proposed as an additive to the solvent due to their excellent solvation properties, high stability, low volatility and flammability. Using molecular dynamics simulations we investigate mixtures of the Pyr14TFSI ionic liquid and dimethoxyethane …