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Updated: Jun 21, 2025
11:04
Synthesis of Ionic Liquid Based Electrolytes, Assembly of Li-ion Batteries, and Measurements of Performance at High Temperature
Published on: December 20, 2016
13.0K
Fluorinated Fullerenes as Electrolyte Additives for High Ionic Conductivity Lithium-Ion Batteries
Haoyu Pan1, Zhanlin Yang1, Jianhui Chen1
1Multiscale Computational Materials Facility & Materials Genome Institute, School of Materials Science and Engineering, Fuzhou University, Fuzhou 350108, China.
Molecules (Basel, Switzerland)
|July 13, 2024
Summary
Fullerenes and fluorinated fullerenes show promise as additives for lithium-ion battery electrolytes. Specifically, C60F4, C60F6, and 2-C60F8 enhance lithium-ion mobility in LiFSI/DME electrolytes.
Area of Science:
- Materials Science
- Electrochemistry
- Computational Chemistry
Background:
- High-performance electrolytes are crucial for advanced lithium-ion batteries.
- Additives offer a cost-effective method to improve electrolyte performance.
Purpose of the Study:
- To evaluate fullerenes and fluorinated fullerenes as additives for bis(fluorosulfonyl)imide/1,2-dimethoxymethane (LiFSI/DME) electrolytes.
- To investigate the impact of fluorine substitution on fullerene properties for electrolyte applications.
Main Methods:
- Density functional theory (DFT) calculations were employed to analyze electronic structures.
- Molecular dynamics (MD) simulations were used to assess ion mobility and interactions.
Main Results:
- Electronic structures of various fullerenes (C60, C60F2, C60F4, C60F6, 1-C60F8, 2-C60F8) are compatible with electrolyte additive requirements.
- Fluorine substitution alters the deformation and electronic properties of fullerene cages.
- Trace amounts of C60F4, C60F6, and 2-C60F8 significantly enhance Li+ mobility in LiFSI/DME electrolytes.
Conclusions:
- Fullerenes and their fluorinated derivatives are viable candidates for novel electrolyte additives.
- This research provides insights into designing advanced additives for high-performance lithium-ion batteries.
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