Unraveling The Molecular Mechanism For Ion Transport in Concentrated Electrolytes

PIs: Jian Qin (Chemical Engineering), Zhenan Bao (Chemistry and Material Science and Engineering)
Postdoc: Mark Liao

Description: A critical prerequisite to the successful deployment of lithium-ion batteries (LIB) in electrical vehicles is the capability of fast charging, which is limited by bulk ion transport, especially when concentrated electrolytes are used. The demand for high energy-density from commercial and heavy-duty vehicles has further renewed interests in lithium metal anode, and pursuits of unconventional, high-concentration electrolytes in order to improve cycling stability. This seed project aims to advance the understanding of how solvent polarity and ion concentration collectively affect the coupled ion transport in the concentrated electrolytes. A family of electrolytes with similar chemistries has been designed, and all-atom molecular dynamics simulations and DOSY NMR measurements will be combined to resolve the mechanisms of correlated ion-transport in the concentrated regime. The fundamental insights will enable the rational design of future electrolytes and facilitate the development of fast-charging capability in both the LIB and the next-generation battery chemistries.