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Electronic structures of lithium battery interphase compounds: comparison between inelastic x-ray scattering measurements and theory
Published
Author(s)
Eric L. Shirley, Timothy Fister, Moritz Schmidt, Paul Fenter, Christopher Johnson, Michael Slater, Maria K. Chan
Abstract
In lithium ion batteries, decomposition of the electrolyte near an electrode surface can play a crucial role in determining the devices long-term performance. The reactivity and the low core binding energy of lithium, carbon, oxygen, and fluorine have complicated the spectroscopic characterization of solid electrolyte interphases (SEIs). We examine the near-edge spectra of bulk specimens of common SEI compounds, including LiF, Li2CO3, LiOH, LiOHH2O, and Li2O, using nonresonant inelastic x-ray scattering (NIXS or x-ray Raman scattering). For lithium, we also experimentally differentiate the s- and p-symmetry components of unoccupied states using the evolution of the K edge with momentum transfer. We find good agreement with theoretical spectra calculated using a Bethe-Salpeter approach in every compound.
Shirley, E.
, Fister, T.
, Schmidt, M.
, Fenter, P.
, Johnson, C.
, Slater, M.
and Chan, M.
(2011),
Electronic structures of lithium battery interphase compounds: comparison between inelastic x-ray scattering measurements and theory, Journal of the American Chemical Society, [online], https://doi.org/10.1063/1.3664620
(Accessed October 16, 2025)