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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.
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Cites
Advanced Model for Solid Electrolyte Interphase Electrodes in Liquid and Polymer Electrolytes
Peled, E., Golodnitsky, D., & Ardel, G. (1997) · Journal of The Electrochemical Society · doi:10.1149/1.1837858 · Cited by 1,205
Recent developments in lithium ion batteries
Wakihara, M. (2001) · Materials Science and Engineering R Reports · doi:10.1016/s0927-796x(01)00030-4 · Cited by 719
Cited by
Electrolytes and Interphases in Li-Ion Batteries and Beyond
Xu, K. (2014) · Chemical Reviews · doi:10.1021/cr500003w · Cited by 5,566
Cabana, J., Monconduit, L., Larcher, D., & Palacín, M. R. (2010) · Advanced Materials · doi:10.1002/adma.201000717 · Cited by 2,361
Wood, K. N., & Teeter, G. (2018) · ACS Applied Energy Materials · doi:10.1021/acsaem.8b00406 · Cited by 676
Michan, A. L., Parimalam, B. S., Leskes, M., Kerber, R. N., Yoon, T., Grey, C. P., & Lucht, B. L. (2016) · Chemistry of Materials · doi:10.1021/acs.chemmater.6b02282 · Cited by 541
Deciphering the multi-step degradation mechanisms of carbonate-based electrolyte in Li batteries
Gachot, G., Grugeon, S., Armand, M., Pilard, S., Guenot, P., Tarascon, J.-M., & Laruelle, S. (2008) · Journal of Power Sources · doi:10.1016/j.jpowsour.2007.11.110 · Cited by 425
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Metadata
- Authors
- Dedryvère, R., Gireaud, L., Grugeon, S., Laruelle, S., Tarascon, J.-M., & Gonbeau, D.
- Venue
- The Journal of Physical Chemistry B
- Publisher
- American Chemical Society (ACS)
- Published
- 2005-08-01
- Volume
- 109
- Issue
- 33
- Pages
- 15868-15875
- ISSN
- 1520-5207 (ISSN-L)
- 1520-6106
- OpenAlex
- W2061154638
- Cited by
- 355
- References
- 2
- FWCI
- 6.04
- Type
- journal article
- Language
- en
- Open access
- closed
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- Dedryvère, R., Gireaud, L., Grugeon, S., Laruelle, S., Tarascon, J.-M., & Gonbeau, D. (2005). Characterization of Lithium Alkyl Carbonates by X-ray Photoelectron Spectroscopy: Experimental and Theoretical Study. The Journal of Physical Chemistry B. https://doi.org/10.1021/jp051626k
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