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Protocol of Electrochemical Test and Characterization of Aprotic Li-O2 Battery
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Binding Energy-Assisted Oxidation Potential as a Measure of Prelithiation Capability
Mengyan Cao1,2,3, Bingyun Ma4, Yixin Li2,5
1Beijing Easpring Material Technology Co. Ltd., Beijing, 100071, China.
Angewandte Chemie (International Ed. in English)
|December 31, 2025
Summary
Chemical prelithiation enhances Li-ion battery performance. Researchers identified key factors influencing prelithiation using electrochemical and computational methods, proposing a new descriptor for selecting effective reagents.
Area of Science:
- Electrochemistry
- Materials Science
- Computational Chemistry
Background:
- Solution-based chemical prelithiation improves Li-ion battery initial coulombic efficiency (ICE) and energy density.
- Existing lithium-aromatic compound complex solutions (LACSs) show varied prelithiation behaviors, lacking fundamental understanding.
Purpose of the Study:
- To identify the rate-determining step and key factors affecting prelithiation capability.
- To develop a predictive descriptor for LACS prelithiation feasibility.
Main Methods:
- Electrochemical evaluation (cyclic voltammetry)
- Spectroscopic analysis
- Density functional theory (DFT) calculations
Main Results:
- Identified correlations between LACS oxidation potential (EO), highest occupied molecular orbital (HOMO) energy, and binding energy (BEsolution).
- Proposed a descriptor, BE-assisted EO, for predicting prelithiation feasibility with high accuracy and efficiency.
Conclusions:
- The BE-assisted EO descriptor offers guidance for selecting and designing LACSs for efficient chemical prelithiation.
- This work advances the fundamental understanding of LACS prelithiation behavior in Li-ion batteries.
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