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Tailoring Cathode Interphase Chemistry for High-Voltage Li-ion Batteries
Di Lu1, Ruhong Li1,2, Ling Lv1
1State Key Laboratory of Silicon and Advanced Semiconductor Materials, School of Materials Science and Engineering, Zhejiang University, Hangzhou, 310027, China.
Angewandte Chemie (International Ed. in English)
|November 6, 2025
Summary
Researchers developed a new framework for designing stable cathode interphases in Lithium-ion batteries (LIBs). This method uses transition metal-oxygen hybridization and bonding strength to improve battery lifespan and energy density.
Area of Science:
- Materials Science
- Electrochemistry
- Battery Technology
Background:
- Cathode interphase engineering is crucial for enhancing Lithium-ion battery (LIB) cyclability and energy density.
- A systematic approach for rational cathode interphase design is currently lacking.
Purpose of the Study:
- To establish a unified framework for designing robust cathode interphases in LIBs.
- To elucidate the role of transition metal-oxygen hybridization and chemical bonding strength in cathode interphase formation.
Main Methods:
- Quantified transition metal (TM)-oxygen (O) hybridization using the energy gap between TM 3d and O 2p orbitals (Δδ).
- Measured chemical bonding strength via integrals of crystal orbital Hamilton population (ICOHP).
- Identified optimal conditions for stable interphase formation (large Δδ, low ICOHP).
Main Results:
- A large Δδ and low ICOHP were found critical for effective and stable cathode interphases.
- N-fluorobis(phenylsulfonyl)amine (NFA) additive demonstrated high Δδ and low ICOHP values, effectively passivating high-voltage cathodes.
- Demonstrated superior cyclic performance in pouch cells (357 cycles at 4.55 V, >400 cycles at 4.6 V).
Conclusions:
- The proposed framework provides a rational approach to cathode interphase design.
- This strategy enables high-voltage LIBs with significantly improved cyclic stability.
- Offers a promising pathway for developing next-generation LIBs with extended lifespans.
