From Li Extraction to Batteries: How Polymers Interact with Electrons, Ions, and Solvents

Lithium-based batteries are essential in modern energy supply systems. There is a demand for safer and higher energy density batteries, and for securing the supply chain of Li for production of these batteries. In this talk, I will cover experimental and modeling studies that focus on the interactions among ions, solvents, and polymers in both battery and separation systems, and how these interactions can be optimized through molecular-scale design.
The first part introduces a novel class of polymer-based electrolytes called SAFE (Solvent-Anchored non-Flammable Electrolyte), highlighting the molecular design principles that address the safety challenges of conventional electrolytes. The second part discusses the combination of molecular dynamics modeling and experimental characterization to develop polymer coatings that stabilize high energy density lithium-metal electrodes, revealing key physical and chemical design principles. The final part combines high-resolution equilibrium measurements with thermodynamic modeling to uncover the molecular principles governing the selective separation of lithium over sodium and potassium in cation exchange membranes.