Determining the Oxidation Stability of Electrolytes for Lithium-Ion Batteries Using Quantum Chemistry and Molecular Dynamics

Determining the Oxidation Stability of Electrolytes for Lithium-Ion Batteries Using Quantum Chemistry and Molecular Dynamics

Determining the oxidation potential (OP) of lithium-ion battery (LIB) electrolytes using theoretical methods will significantly speed up and simplify the process of creating a new generation high-voltage battery. The algorithm for calculating OP should be not only accurate but also fast. Our work pr...

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Bibliographic Details
Main Authors: Elizaveta Y. Evshchik, Sophia S. Borisevich, Margarita G. Ilyina, Edward M. Khamitov, Alexander V. Chernyak, Tatiana A. Pugacheva, Valery G. Kolmakov, Olga V. Bushkova, Yuri A. Dobrovolsky
Format: Article
Language:English
Published: MDPI AG 2024-03-01
Series:Electrochem
Subjects:
liquid electrolytes
lithium-ion batteries
cationic complexes
anionic complexes
molecular dynamics simulation
quantum chemical calculations
Online Access:https://www.mdpi.com/2673-3293/5/1/7

Internet

https://www.mdpi.com/2673-3293/5/1/7

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