Anion Solvation in Carbonate-Based Electrolytes

Autor: Xiao-Qing Yang, Steven Greenbaum, Arthur v. Cresce, Libo Hu, Adele Fu, Khalil Amine, Selena M. Russell, Kang Xu, Emily Wikner, Zhengcheng Zhang, Mallory Gobet, Hung-Sui Lee, Oleg Borodin, Jing Peng
Rok vydání: 2015
Předmět:
Zdroj: The Journal of Physical Chemistry C. 119:27255-27264
ISSN: 1932-7455
1932-7447
DOI: 10.1021/acs.jpcc.5b08895
Popis: With the correlation between Li+ solvation and interphasial chemistry on anodes firmly established in Li-ion batteries, the effect of cation–solvent 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–, and tetrafluoroborate, BF4–) 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.
Databáze: OpenAIRE