Local electronic regulation of Na5V12O32 cathode suppressing structural distortion toward enhanced sodium storage

High-voltage layered oxide cathodes have received extensive attention for sodium-ion batteries owing to their potential high energy and power densities, but their stabilization remains a universal challenge. Herein, a stable high-voltage K<sub>x</sub>Na<sub>5-x</sub>V<sub>12</sub>O<sub>32</sub> cathode is designed by synergistically tuning the irreversible phase and oxygen vacancies through the substitution of Na with K. The functional mechanism regulating the electronic structure of K<sub>x</sub>Na<sub>5-x</sub>V<sub>12</sub>O<sub>32</sub> is elucidated: K substitution strengthens V 3d-O 2p hybridization and V 3d-orbital electron delocalization in the K<sub>0.147</sub>Na<sub>4.853</sub>V<sub>12</sub>O<sub>32</sub> structure, enriching charge distribution and reinforcing the V<sub>3</sub>O<sub>8</sub> structure. This promots electron transfer kinetics, suppresses irreversible phase transition, and lowers the Na<sup>+</sup> diffusion energy barrier. Moreover, the reversible redox reaction of V<sup>5+</sup>/V<sup>4+</sup> is significantly enhanced, delivering 250.1 mA h g<sup>-1</sup> (1.5-4.3 V vs. Na/Na<sup>+</sup>), which increases the average operating voltage from 4.0 to 4.3 V and boosts the overall energy density. Consequently, the K<sub>0.147</sub>Na<sub>4.853</sub>V<sub>12</sub>O<sub>32</sub> electrode significantly enhances cycling performance, retaining 98.2% of the capacity after 1000 cycles at 1300 mA g<sup>-1</sup> and enabling stable cycling with 98.7% retention after 300 cycles in a hard carbon | | K<sub>0.147</sub>Na<sub>4.853</sub>V<sub>12</sub>O<sub>32</sub> pouch cell. This strategy of electronic structure modulation offers avenues for developing high energy density stable vanadium-based cathode materials for sodium-ion batteries.

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Journal
Nature Communications
Published
2025-11-20
DOI
https://doi.org/10.1038/s41467-025-63879-0
Citations
2
Primary Topic
Advancements in Battery Materials
Type
article
Field-Weighted Citation Impact
1.46

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article

Local electronic regulation of Na5V12O32 cathode suppressing structural distortion toward enhanced sodium storage

Xiao Wei, Xifei Li, Shuling Liu, Gaini Zhang et al.
2 citations
Nature Communications
Advancements in Battery Materials
1.46
article

Local electronic regulation of Na5V12O32 cathode suppressing structural distortion toward enhanced sodium storage

Xiao Wei, Xifei Li, Shuling Liu, Gaini Zhang, Xuexia Song, Jingjing Wang, Wenbin Li, Jun Biao Lu, Yunkai Xu
article en
2 citations

Abstract

High-voltage layered oxide cathodes have received extensive attention for sodium-ion batteries owing to their potential high energy and power densities, but their stabilization remains a universal challenge. Herein, a stable high-voltage K<sub>x</sub>Na<sub>5-x</sub>V<sub>12</sub>O<sub>32</sub> cathode is designed by synergistically tuning the irreversible phase and oxygen vacancies through the substitution of Na with K. The functional mechanism regulating the electronic structure of K<sub>x</sub>Na<sub>5-x</sub>V<sub>12</sub>O<sub>32</sub> is elucidated: K substitution strengthens V 3d-O 2p hybridization and V 3d-orbital electron delocalization in the K<sub>0.147</sub>Na<sub>4.853</sub>V<sub>12</sub>O<sub>32</sub> structure, enriching charge distribution and reinforcing the V<sub>3</sub>O<sub>8</sub> structure. This promots electron transfer kinetics, suppresses irreversible phase transition, and lowers the Na<sup>+</sup> diffusion energy barrier. Moreover, the reversible redox reaction of V<sup>5+</sup>/V<sup>4+</sup> is significantly enhanced, delivering 250.1 mA h g<sup>-1</sup> (1.5-4.3 V vs. Na/Na<sup>+</sup>), which increases the average operating voltage from 4.0 to 4.3 V and boosts the overall energy density. Consequently, the K<sub>0.147</sub>Na<sub>4.853</sub>V<sub>12</sub>O<sub>32</sub> electrode significantly enhances cycling performance, retaining 98.2% of the capacity after 1000 cycles at 1300 mA g<sup>-1</sup> and enabling stable cycling with 98.7% retention after 300 cycles in a hard carbon | | K<sub>0.147</sub>Na<sub>4.853</sub>V<sub>12</sub>O<sub>32</sub> pouch cell. This strategy of electronic structure modulation offers avenues for developing high energy density stable vanadium-based cathode materials for sodium-ion batteries.

Nature CommunicationsVol. 16(1)
Xi’an University (CN), Microbiology Institute of Shaanxi (CN), China XD Group (China) (CN), Shaanxi University of Science and Technology (CN), Zhejiang University (CN)
National Natural Science Foundation of China, Education Department of Shaanxi Province
Openalex Percentile: Top 14%
Advancements in Battery Materials
1.46
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