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Single-Molecule Dual-Anchor Design Enables Extreme-Condition Lithium Metal Batteries Through Solvation Reconstruction
Ruizhe Xu1, Anjun Hu1, Wang Xu1
1College of Materials and Chemistry & Chemical Engineering (College of Lithium Resources and Lithium Battery Industry), Chengdu University of Technology, Chengdu, 610059, P.R. China.
Angewandte Chemie (International Ed. in English)
|September 10, 2025
Summary
A novel molecular design stabilizes both lithium metal anode and NCM811 cathode interfaces in lithium metal batteries (LMBs). This breakthrough enables high-energy-density batteries to operate reliably under extreme conditions, paving the way for advanced energy storage.
Area of Science:
- Materials Science
- Electrochemistry
- Chemical Engineering
Background:
- Lithium metal batteries (LMBs) offer high energy density but face challenges with electrolyte stability at anode and cathode interfaces, especially under extreme conditions.
- Conventional carbonate electrolytes struggle to stabilize both the lithium metal anode and the LiNi0.8Co0.1Mn0.1O2 (NCM811) cathode interfaces simultaneously.
- This instability limits the practical application of LMBs in demanding environments.
Purpose of the Study:
- To develop a molecular design for simultaneously stabilizing lithium metal anode and NCM811 cathode interfaces in LMBs.
- To overcome the limitations of conventional electrolytes in extreme operating conditions.
- To enhance the cycling stability and energy density of next-generation energy storage systems.
Main Methods:
- Introduced 3,5-difluorophenylboronic acid neopentyl glycol ester (DNE) as a dual-action molecular additive.
- Investigated DNE's mechanism for reconstructing the Li+ solvation sheath and forming a LiF-rich solid electrolyte interphase (SEI) at the anode.
- Analyzed DNE's in situ polymerization on the cathode to create a transition metal ion-trapping network.
Main Results:
- DNE effectively suppressed lithium dendrite growth by forming a stable, LiF-rich SEI.
- In situ polymerization of DNE on the NCM811 cathode optimized the cathode electrolyte interphase (CEI) and mitigated structural degradation.
- Li||NCM811 cells demonstrated exceptional cycling stability at 4.7 V and 60 °C, with a 1 Ah pouch cell achieving 331 Wh kg-1 and retaining 98.8% capacity after 100 cycles.
Conclusions:
- The dual-interface molecular anchoring strategy using DNE provides a robust solution for stabilizing interfaces in LMBs.
- This approach enables high-performance lithium metal batteries to operate reliably under extreme conditions.
- The findings establish a new design paradigm for developing advanced energy storage systems.
