Related Experiment Video
Updated: May 24, 2026

Protocol of Electrochemical Test and Characterization of Aprotic Li-O2 Battery
Published on: July 12, 2016
Oxidation potentials of functionalized sulfone solvents for high-voltage Li-ion batteries: a computational study
Nan Shao1, Xiao-Guang Sun, Sheng Dai
1Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA.
Abstract:
New electrolytes with large electrochemical windows are needed to meet the challenge for high-voltage Li-ion batteries. Sulfone as an electrolyte solvent boasts of high oxidation potentials. Here we examine the effect of multiple functionalization on sulfone's oxidation potential. We compute oxidation potentials for a series of sulfone-based molecules functionalized with fluorine, cyano, ester, and carbonate groups by using a quantum chemistry method within a continuum solvation model. We find that multifunctionalization is a key to achieving high oxidation potentials. This can be realized through either a fluorether group on a sulfone molecule or sulfonyl fluoride with a cyano or ester group.
More Related Videos
09:49A Protocol for Electrochemical Evaluations and State of Charge Diagnostics of a Symmetric Organic Redox Flow Battery
Published on: February 13, 2017
07:55Elemental-sensitive Detection of the Chemistry in Batteries through Soft X-ray Absorption Spectroscopy and Resonant Inelastic X-ray Scattering
Published on: April 17, 2018
Related Concept Videos
Preparation and Reactions of Sulfides
Electrophilic Aromatic Substitution: Sulfonation of Benzene
Standard Electrode Potentials
Weak Acid Solutions
Batteries and Fuel Cells
Solvating Effects