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Vol. 18 (2026)

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

https://doi.org/10.1007/s40820-025-01858-2
Tianlin Li
China University of Mining and Technology, Xuzhou 221116, People’s Republic of China
Danyang Zhao
China University of Mining and Technology, Xuzhou 221116, People’s Republic of China
Meiyu Shi
China University of Mining and Technology, Xuzhou 221116, People’s Republic of China
Chao Tian
China University of Mining and Technology, Xuzhou 221116, People’s Republic of China
Jie Yi
China University of Mining and Technology, Xuzhou 221116, People’s Republic of China
Qing Yin
China University of Mining and Technology, Xuzhou 221116, People’s Republic of China
Yongzhi Li
China University of Mining and Technology, Xuzhou 221116, People’s Republic of China
Bin Xiao
China University of Mining and Technology, Xuzhou 221116, People’s Republic of China
Jiqiu Qi
China University of Mining and Technology, Xuzhou 221116, People’s Republic of China
Peng Cao
Department of Chemical and Materials Engineering, University of Auckland, Auckland 1142, New Zealand
Yanwei Sui
China University of Mining and Technology, Xuzhou 221116, People’s Republic of China

Corresponding Author: Yanwei Sui

wyds123456@outlook.com

Nano-Micro Letters, Vol. 18 (2026), Article Number: 15

Abstract

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.


Highlights:
1 Quantum-scaled FeS2 induces delocalized electronic regions, effectively reducing electrostatic potential barriers and accelerating Na+ diffusion kinetics.
2 The free charge accumulation regions were formed by edge mismatched atoms, activating numerous electrochemically sites to enable high-capacity Na+ storage and ultrafast-ion transport across wide temperature range (−35 to 65 °C).
3 The FeS2 QD/MXene anode delivers superior wide-temperature capacity of 255.2 mAh g−1 (−35 °C) and 424.9 mAh g−1 (65 °C) at 0.1 A g−1. The FeS2 QD/MXene//NVP cell achieves a record energy density of 162.4 Wh kg⁻1 at − 35 °C.

Keywords

Quantum-size effect Electron delocalization Efficient short-range transfer kinetics Wide-temperature Sodium-ion batteries
Li, Tianlin, Danyang Zhao, Meiyu Shi, Chao Tian, Jie Yi, Qing Yin, Yongzhi Li, Bin Xiao, Jiqiu Qi, Peng Cao, and Yanwei Sui. 2025. “Quantum-Size FeS2 With Delocalized Electronic Regions Enable High-Performance Sodium-Ion Batteries Across Wide Temperatures”. Nano-Micro Letters 18 (July):15. https://doi.org/10.1007/s40820-025-01858-2.
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