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