Characterization of Lithium Alkyl Carbonates by X-ray Photoelectron Spectroscopy: Experimental and Theoretical Study
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- 1 August 2005
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry B
- Vol. 109 (33) , 15868-15875
- https://doi.org/10.1021/jp051626k
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.This publication has 22 references indexed in Scilit:
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