Excitonic Effects in X‐ray Absorption Spectraof Fluoride Salts and Their Surfaces
Advanced calculations of X-ray absorption spectra provide accurate reproduction of experiment, consistent energy alignment and comparative electronic structure interpretation for common fluoride salts often found at electrode interfaces.
Novel analysis reveals distinct spectral signatures of the salt surface buried in many measurements with relevance to thin films found in batteries.
MBXAS simulations can accurately simulate F K-edge XAS
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
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
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
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