Biological & Soft Matter Seminar: Beating the viscosity-conductivity inverse relation barrier to create a breakthrough electrolyte for emerging battery applications: Quantum mechanics holds the key

Abstarct:

Candidate systems for next-generation electrolyte materials, such as deep eutectic solvents and ionic liquids, often suffer from the limitation of an inverse relation that exists between viscosity and conductivity, known as Walden’s rule, which can suppress rates of charge transport and limit their performance characteristics. A strategy for circumventing this problem draws its inspiration from the world of ion exchange membranes and the types of charge transport processes operative in these systems. In this talk, I will describe a project aimed at leveraging machine learning and quantum simulation strategies, in combination with experimental synthesis and characterization, to develop a novel class of battery electrolytes that demonstrates an ability to escape the limitations of Walden’s rule. In particular, I will describe how the charge transport processes in this new class electrolytes achieve breakthrough performance by harnessing their unusual quantum character. I will discuss the selection of candidate chemical species for each of the component processes, protocols for combining these components into a high-performance electrolyte, current results, and next steps in the evolution of the project. This work will serve to illustrate both the power of modern computational and machine learning approaches in the design of electrochemical systems but also to broaden the perspective on what constitutes a “breakthrough” electrolyte.