Identification of diethyl 2,5-dioxahexane dicarboxylate and polyethylene carbonate as decomposition products of ethylene carbonate based electrolytes by Fourier transform infrared spectroscopy

Feifei Shi, Hui Zhao, Gao Liu, Philip N. Ross, Gabor A. Somorjai, Kyriakos Komvopoulos

Research output: Contribution to journalArticle

20 Scopus citations

Abstract

The formation of passive films on electrodes due to electrolyte decomposition significantly affects the reversibility of Li-ion batteries (LIBs); however, understanding of the electrolyte decomposition process is still lacking. The decomposition products of ethylene carbonate (EC)-based electrolytes on Sn and Ni electrodes are investigated in this study by Fourier transform infrared (FTIR) spectroscopy. The reference compounds, diethyl 2,5-dioxahexane dicarboxylate (DEDOHC) and polyethylene carbonate (poly-EC), were synthesized, and their chemical structures were characterized by FTIR spectroscopy and nuclear magnetic resonance (NMR). Assignment of the vibration frequencies of these compounds was assisted by quantum chemical (Hartree-Fock) calculations. The effect of Li-ion solvation on the FTIR spectra was studied by introducing the synthesized reference compounds into the electrolyte. EC decomposition products formed on Sn and Ni electrodes were identified as DEDOHC and poly-EC by matching the features of surface species formed on the electrodes with reference spectra. The results of this study demonstrate the importance of accounting for the solvation effect in FTIR analysis of the decomposition products forming on LIB electrodes.

Original languageEnglish (US)
Pages (from-to)14732-14738
Number of pages7
JournalJournal of Physical Chemistry C
Volume118
Issue number27
DOIs
StatePublished - Jul 10 2014

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Energy(all)
  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films

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