Excitonic Effects in X‐ray Absorption Spectraof Fluoride Salts and Their Surfaces
First-principles theoretical analysis is performed atom by atom, from surface to bulk, for fluoride salts commonly found in the solid electrolyte interphase and reveals the electronic structure origins of features in X-ray absorption spectra
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.
Research Details
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
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