Crosscutting Science
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Elucidating the Solvation Structure and Dynamics of Lithium Polysulfides
A coupled theoretical and experimental study of bulk solvation structure and transport properties of lithium salt (Li-TFSI) and polysulfides species revealed extensive cluster formation in lower order polysulfides (Sx2-; x≤4), whereas the longer polysulfides (Sx2-; x>4) show high solubility and slow dynamics in the solution. Read More
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Electrochemical Stability Window of Imidazolium-Based Ionic Liquids as Electrolytes for Lithium Batteries
The oxidation and reduction potentials of the constituent cations and anions of a series of imidazolium-based ionic liquids with respect to a Li+/Li reference electrode were calculated using density functional theory (DFT) following the method of thermodynamic cycles. Read More
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How Mixing Tetraglyme with Ionic Liquid Changes Volumetric and Transport Properties
Charge localization of the solvent molecules affects the liquid phase structure and transport properties in electrolyte solutions. Read More
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Molecular Design of Low Viscosity Ionic Liquid for High Performance Electrolyte
Computationally predicted viscosities confirmed by experimental measurements. Read More
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Molecular Topology and Local Dynamics Govern the Viscosity of Imidazolium-Based Ionic Liquids
A direct connection between molecular structure and liquid viscosity was made, and the latter was explained based on the former feature. Read More
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Reliable Viscosity Calculation from Equilibrium Molecular Dynamics Simulations: A Time Decomposition Method
An equilibrium molecular dynamics-based computational method is developed and tested for the reliable calculation of viscosity. Read More
Latest Updates
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You’re Invited - JCESR and Beyond: Translating the Basic Science of Batteries
Please join us at Argonne National Laboratory on Tuesday, April 4, 2023 for JCESR and Beyond: Translating the Basic Science of Batteries. Registration is now open. This in-person event will celebrate 10 years of research from the Joint Center… Read More
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A Message from JCESR: In Memory of George Crabtree
It is with heavy hearts that we say goodbye to George Crabtree, a Senior Scientist and Distinguished Fellow at Argonne National Laboratory, and Director of the Joint Center for Energy Storage Research (JCESR), who passed away unexpectedly on January 23. Dr. Read More
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Cyanopyridines As Extremely Low-Reduction-Potential Anolytes for Nonaqueous Redox Flow Batteries
Discovery of a cyanophenylpyridine derivative with a very low reduction potential and good stability during cycling. Read More
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Characterizing Redoxmer – Electrode Kinetics Using a SECM-Based Spot Analysis Method
Identified asymmetries in electron transfer (ET) kinetics between the reduction and oxidation of ferrocene-based redoxmers by measuring the ET rate constants (kf/kb) as a function of electrode potential. Read More
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Benzotriazoles as Low Potential Anolytes for Non-Aqueous Redox Flow Batteries
We developed an easy-to-synthesize benzotriazole-based anolyte with a high energy redox potential (-2.3 V vs Fc/Fc+) and high solubility that demonstrates stable electrochemical cycling performance. Read More
