Quantum‑Size FeS2 with Delocalized Electronic Regions Enable High‑Performance Sodium‑Ion Batteries Across Wide Temperatures

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Quantum‑Size FeS2 with Delocalized Electronic Regions Enable High‑Performance Sodium‑Ion Batteries Across Wide Temperatures
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Quantum-Size FeS2 with Delocalized Electronic Regions Enable High-Performance Sodium-Ion Batteries Across Wide Temperatures - Nano-Micro Letters

Wide-temperature applications of sodium-ion batteries (SIBs) are severely limited by the sluggish ion insertion/diffusion kinetics of conversion-type anodes. Quantum-sized transition metal dichalcogenides possess unique advantages of charge delocalization and enrich uncoordinated electrons and short-range transfer kinetics, which are crucial to achieve rapid low-temperature charge transfer and high-temperature interface stability. Herein, a quantum-scale FeS2 loaded on three-dimensional Ti3C2 MXene skeletons (FeS2 QD/MXene) fabricated as SIBs anode, demonstrating impressive performance under wide-temperature conditions (− 35 to 65 °C). The theoretical calculations combined with experimental characterization interprets that the unsaturated coordination edges of FeS2 QD can induce delocalized electronic regions, which reduces electrostatic potential and significantly facilitates efficient Na+ diffusion across a broad temperature range. Moreover, the Ti3C2 skeleton reinforces structural integrity via Fe–O–Ti bonding, while enabling excellent dispersion of FeS2 QD. As expected, FeS2 QD/MXene anode harvests capacities of 255.2 and 424.9 mAh g−1 at 0.1 A g−1 under − 35 and 65 °C, and the energy density of FeS2 QD/MXene//NVP full cell can reach to 162.4 Wh kg−1 at − 35 °C, highlighting its practical potential for wide-temperatures conditions. This work extends the uncoordinated regions induced by quantum-size effects for exceptional Na+ ion storage and diffusion performance at wide-temperatures environment.

As the demand for sustainable and low-cost energy storage grows, sodium-ion batteries (SIBs) have emerged as a promising alternative to lithium-ion systems. However, their performance under extreme temperatures remains a major hurdle. Now, researchers from China University of Mining and Technology, led by Professor Danyang Zhao and Professor Yanwei Sui, have developed a breakthrough anode material—quantum-sized FeS2 anchored on 3D MXene—that delivers exceptional sodium storage performance from −35 °C to 65 °C.

Why This Innovation Matters

  • Wide-Temperature Operation: The FeS2 quantum dot (QD)/MXene anode maintains high capacities of 255.2 mAh g-1 at −35 °C and 424.9 mAh g-1 at 65 °C, enabling reliable battery performance in extreme environments.
  • Fast Ion Transport: Quantum confinement creates delocalized electronic regions and abundant edge defects, significantly reducing Na⁺ diffusion barriers and enhancing reaction kinetics.
  • High Energy Density: When paired with Na3V2(PO4)3 cathode, the full cell achieves a record energy density of 162.4 Wh kg-1 at −35 °C, outperforming most reported wide-temperature SIBs.

Design Highlights

  • Quantum-Size Engineering: Ultra-small FeS2QDs (5–8 nm) maximize edge atom exposure, promoting charge delocalization and pseudocapacitive behavior without compromising structural integrity.
  • 3D MXene Skeleton: Ti3C2 MXene forms a robust, conductive scaffold via Fe–O–Ti bonding, preventing QD aggregation and accommodating volume changes during cycling.
  • Strong Interfacial Coupling: X-ray absorption and Raman spectroscopy confirm Ti–O–Fe bonds and charge redistribution, which enhance electronic conductivity and stabilize the active material.

Performance and Outlook

  • Long-Term Stability: The anode retains 370.1 mAh g-1 after 2500 cycles at 1 A g-1, demonstrating superior cycling durability across temperatures.
  • Fast Charge/Discharge: Pseudocapacitive contributions dominate (up to 77%), enabling rapid Na+ storage and high-rate capability.
  • Scalable Strategy: The ion-induced self-assembly method is extendable to other transition metal sulfides (e.g., CoS2, NiS2), offering a universal route to high-performance SIB anodes.

This work introduces a powerful strategy to harness quantum-size effects for wide-temperature energy storage, paving the way for durable, high-energy sodium-ion batteries in aerospace, electric vehicles, and grid systems. Stay tuned for more innovations from Professor Zhao and Professor Sui’s team!

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Batteries
Physical Sciences > Materials Science > Materials for Energy and Catalysis > Batteries
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