Characterization of lithium alkyl carbonates by X-ray photoelectron spectroscopy: experimental and theoretical study.
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.
Dedryvère
R
R
LCTPCM, Université de Pau, Hélioparc Pau Pyrénées, 2 av. Pierre Angot, 64053 Pau Cedex 9, France. remi.dedryvere@univ-pau.fr
Gireaud
L
L
Grugeon
S
S
Laruelle
S
S
Tarascon
J-M
JM
Gonbeau
D
D