Electronic structures of lithium battery interphase compounds: comparison between inelastic x-ray scattering measurements and theory

Published

December 13, 2011

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 device’s 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, LiOH•H2O, 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.

Citation

Journal of the American Chemical Society

Volume

135

Issue

22

Pub Type

Journals

Download Paper

https://doi.org/10.1063/1.3664620

Keywords

Bethe-Salpeter equation, lithium battery, non-resonant inelastic x-ray scattering, solid electrolyte interphase

Citation

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 20, 2025)