CONTACT US

Email: info@alfa-chemistry.com
Tel:1-201-478-8534
1-516-662-5404
Fax: 1-516-927-0118
Address: 2200 Smithtown Avenue, Room 1 Ronkonkoma, NY 11779-7329 USA

For product inquiries, please use our online system or send an email to
inquiry@alfa-chemistry.com

chemistry partner
Home > Publication > Toward 5 V Li-Ion Batteries: Quantum Chemical Calculation and Electrochemical Characterization of Sulfone-Based High-Voltage Electrolytes.

Toward 5 V Li-Ion Batteries: Quantum Chemical Calculation and Electrochemical Characterization of Sulfone-Based High-Voltage Electrolytes.

Wu F1,2,3, Zhou H1, Bai Y1,2, Wang H1, Wu C1,2,3.

ACS Appl Mater Interfaces. 2015 Jul 15;7(27):15098-107. doi: 10.1021/acsami.5b04477. Epub 2015 Jul 6.

In seeking new sulfone-based electrolytes to meet the demand of 5 V lithium-ion batteries, we have combined the theoretical quantum chemistry calculation and electrochemical characterization to explore several sulfone/cosolvent systems. Tetramethylene sulfone (TMS), dimethyl sulfite (DMS), and diethyl sulfite (DES) were used as solvents, and three kinds of lithium salts including LiBOB, LiTFSI, and LiPF6 were added into TMS/DMS [1:1, (v)] and TMS/DES [1:1, (v)] to form high-voltage electrolyte composites, respectively. All of these electrolytes display wide electrochemical windows of more than 5.4 V, with the high electrolyte conductivities being more than 3 mS/cm at room temperature. It is indicated that to achieve the best ionic conductivity in TMS/DMS cosolvent, the optimized concentrations of lithium salts LiBOB, LiTFSI, and LiPF6 were 0.8, 1, and 1 M, respectively. Furthermore, the vibrational changes of the molecular functional groups in the cosolvents were evaluated by Fourier transform infrared spectroscopy. It is found that lithium salts show strong interaction with the main functional sulfone groups and sulfonic acid ester group, thus playing a vital role in the enhancement of the ionic conductivity and electrochemical stability of the solvent system. These sulfone-based solvents with high electrochemical stability are expected to become a new generation of a high-voltage organic electrolytic liquid system for lithium-ion batteries.

Chemicals Related in the Paper:

Catalog Number Product Name Structure CAS Number Price
ACM623814 Diethyl sulfite Diethyl sulfite 623-81-4 Price

Share

Interested in our Services & Products ? Need detailed information?
facebook twitter linkedin

Contact us

Email:
Tel:1-201-478-8534
1-516-662-5404
Fax: 1-516-927-0118
Address: 2200 Smithtown Avenue, Room 1 Ronkonkoma, NY 11779-7329 USA