Oxidation Decomposition Mechanism of Fluoroethylene Carbonate‐Based Electrolytes for High‐Voltage Lithium Ion Batteries: A DFT Calculation and Experimental Study

The oxidative decomposition mechanism of fluoroethylene carbonate (FEC) used in high‐voltage batteries is investigated by using density functional theory (DFT). Radical cation FEC•+ is formed from FEC by transferring one electron to electrode and the most likely decomposition products are CO2 and 2‐...

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Veröffentlicht in:	ChemistrySelect (Weinheim) 2017-08, Vol.2 (24), p.7353-7361
Hauptverfasser:	Xia, Lan, Tang, Bencan, Yao, Linbin, Wang, Kai, Cheris, Anastasia, Pan, Yueyang, Lee, Saixi, Xia, Yonggao, Chen, George Z., Liu, Zhaoping
Format:	Artikel
Sprache:	eng
Schlagworte:	Density functional calculation Fluoroethylene carbonate High-voltage Lithium ion battery Oxidative decomposition
Online-Zugang:	Volltext
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