title: Characterization of lithium alkyl carbonates by X-ray photoelectron spectroscopy: experimental and theoretical study.
abstract: Lithium alkyl carbonates ROCO2Li result from the reductive decomposition of dialkyl carbonates, which are the organic solvents used in the electrolytes of common lithium-ion batteries. They play a crucial role in the formation of surface layers at the electrode/electrolyte interfaces. In this work, we report on the X-ray photoelectron spectroscopy (XPS) characterization of synthesized lithium methyl and ethyl carbonates. Using Hartree-Fock ab initio calculations, we interpret and simulate the valence spectra of both samples, as well as several other Li alkyl carbonates involved in Li-ion batteries. We show that Li alkyl carbonates can be identified at the electrode's surface by a combined analysis of XPS core peaks and valence spectra.
authors.affiliation: LCTPCM, Université de Pau, Hélioparc Pau Pyrénées, 2 av. Pierre Angot, 64053 Pau Cedex 9, France. remi.dedryvere@univ-pau.fr
authors.forename: R
authors.initials: R
authors.lastname: Dedryvère
authors.forename: L
authors.initials: L
authors.lastname: Gireaud
authors.forename: S
authors.initials: S
authors.lastname: Grugeon
authors.forename: S
authors.initials: S
authors.lastname: Laruelle
authors.forename: J-M
authors.initials: JM
authors.lastname: Tarascon
authors.forename: D
authors.initials: D
authors.lastname: Gonbeau