Anion Solvation in Carbonate-Based Electrolytes

von Wald Cresce, Arthur; Gobet, Mallory; Borodin, Oleg; Peng, Jing; Russell, Selena M.; Wikner, Emily; Fu, Adele; Hu, Libo; Lee, Hung-Sui; Zhang, Zhengcheng; Yang, Xiao-Qing; Greenbaum, Steven; Amine, Khalil; Xu, Kang

doi:10.1021/acs.jpcc.5b08895

Anion Solvation in Carbonate-Based Electrolytes

Journal Article · Mon Nov 16 00:00:00 EST 2015 · Journal of Physical Chemistry. C

DOI:https://doi.org/10.1021/acs.jpcc.5b08895· OSTI ID:1335377

von Wald Cresce, Arthur ^[1]; Gobet, Mallory ^[2]; Borodin, Oleg ^[1]; Peng, Jing ^[2]; Russell, Selena M. ^[1]; Wikner, Emily ^[1]; Fu, Adele ^[1]; Hu, Libo ^[3]; Lee, Hung-Sui ^[4]; Zhang, Zhengcheng ^[3]; Yang, Xiao-Qing ^[4]; Greenbaum, Steven ^[2]; Amine, Khalil ^[3]; Xu, Kang ^[1]

U.S. Army Research Lab., Adelphi, MD (United States)
City Univ. of New York (CUNY), NY (United States). Dept. of Physics and Astronomy
Argonne National Lab. (ANL), Argonne, IL (United States). Chemical Sciences and Engineering Division
Brookhaven National Lab. (BNL), Upton, NY (United States). Chemistry Dept.

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. 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. Moreover, as a mirror effort to prior Li⁺ solvation studies, this work focuses on the interactions between carbonate-based solvents and two anions (hexafluorophosphate, PF_6–, and tetrafluoroborate, BF_4–) 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.

View Accepted Manuscript (DOE)

Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

OSTI ID:: 1335377

Alternate ID(s):: OSTI ID: 1244549

Report Number(s):: BNL--111768-2016-JA; KC0207010

Journal Information:: Journal of Physical Chemistry. C, Journal Name: Journal of Physical Chemistry. C Journal Issue: 49 Vol. 119; ISSN 1932-7447

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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