Anion Solvation in Carbonate-Based Electrolytes

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• 作者：Arthur von Wald Cresce ; Mallory Gobet ; Oleg Borodin ; Jing Peng ; Selena M. Russell ; Emily Wikner ; Adele Fu ; Libo Hu ; Hung-Sui Lee ; Zhengcheng Zhang ; Xiao-Qing Yang ; Steven Greenbaum ; Khalil Amine ; Kang Xu
• 刊名：Journal of Physical Chemistry C
• 出版年：2015
• 出版时间：December 10, 2015
• 年：2015
• 卷：119
• 期：49
• 页码：27255-27264
• 全文大小：502K
• ISSN：1932-7455

文摘

With the correlation between Li⁺ solvation and interphasial chemistry on anodes firmly established in Li-ion batteries, the effect of cation鈥搒olvent interaction has gone beyond bulk thermodynamic and transport properties and become an essential element that determines the reversibility of electrochemistry and kinetics of Li-ion intercalation chemistries. As of now, most studies are dedicated to the solvation of Li⁺, and the solvation of anions in carbonate-based electrolytes and its possible effect on the electrochemical stability of such electrolytes remains little understood. As a mirror effort to prior Li⁺ solvation studies, this work focuses on the interactions between carbonate-based solvents and two anions (hexafluorophosphate, PF₆^{鈥?/sup>, and tetrafluoroborate, BF₄鈥?/sup>) that are most frequently used in Li-ion batteries. The possible correlation between such interaction and the interphasial chemistry on cathode surface is also explored.}