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Title: Anion Solvation in Carbonate-Based Electrolytes

Journal Article · · Journal of Physical Chemistry. C
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  1. U.S. Army Research Lab., Adelphi, MD (United States)
  2. City Univ. of New York (CUNY), NY (United States). Dept. of Physics and Astronomy
  3. Argonne National Lab. (ANL), Argonne, IL (United States). Chemical Sciences and Engineering Division
  4. Brookhaven National Lab. (BNL), Upton, NY (United States). Chemistry Dept.
+ Show Author Affiliations

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, 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.

Research Organization:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
SC00112704
OSTI ID:
1335377
Report Number(s):
BNL-111768-2016-JA; R&D Project: EST431; KC0207010
Journal Information:
Journal of Physical Chemistry. C, Vol. 119, Issue 49; ISSN 1932-7447
Publisher:
American Chemical SocietyCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 90 works
Citation information provided by
Web of Science

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Cited By (15)

Properties of Ion Complexes and Their Impact on Charge Transport in Organic Solvent-Based Electrolyte Solutions for Lithium Batteries: Insights from a Theoretical Perspective journal December 2018
An ab initio molecular dynamics study of the solvation structure and ultrafast dynamics of lithium salts in organic carbonates: A comparison between linear and cyclic carbonates journal May 2019
Stability of Li 2 CO 3 in cathode of lithium ion battery and its influence on electrochemical performance journal January 2016
Anion effects on the solvation structure and properties of imide lithium salt-based electrolytes journal January 2019
Progress in Aqueous Rechargeable Sodium-Ion Batteries journal March 2018
The nanoscale structure of the electrolyte–metal oxide interface journal January 2018
Converting detrimental HF in electrolytes into a highly fluorinated interphase on cathodes journal January 2018
Exploring Classes of Co-Solvents for Fast-Charging Lithium-Ion Cells journal January 2018
“Water-in-Salt” Electrolyte Makes Aqueous Sodium-Ion Battery Safe, Green, and Long-Lasting journal July 2017
Revealing electrolyte oxidation via carbonate dehydrogenation on Ni-based oxides in Li-ion batteries by in situ Fourier transform infrared spectroscopy journal January 2020
Intercalation Behavior of Hexafluorophosphate into Graphite Electrode from Propylene/Ethylmethyl Carbonates journal January 2017
Effect of standard light illumination on electrolyte’s stability of lithium-ion batteries based on ethylene and di-methyl carbonates journal January 2019
Real-time mass spectrometric characterization of the solid–electrolyte interphase of a lithium-ion battery journal January 2020
Dioxazolone and Nitrile Sulfite Electrolyte Additives for Lithium-Ion Cells journal January 2018
The Solid-Electrolyte Interphase Formation Reactions of Ethylene Sulfate and Its Synergistic Chemistry with Prop-1-ene-1,3-Sultone in Lithium-Ion Cells journal January 2017

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