Enhancing Electrochemical Performance of Layered Cathode Materials for Sodium-Ion Batteries via Dual-Ion Doping

DONG Haojie; WANG Wenye; LIU Mengting; XIAO Bing; SHI Le; WANG Pengfei

doi:10.7652/xjtuxb202606003

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Enhancing Electrochemical Performance of Layered Cathode Materials for Sodium-Ion Batteries via Dual-Ion Doping

Special Topic Electrochemical Materials | 更新时间：2026-06-12

- Enhancing Electrochemical Performance of Layered Cathode Materials for Sodium-Ion Batteries via Dual-Ion Doping
- Journal of Xi'an Jiaotong University Vol. 60, Issue 6, Pages: 39-49(2026)
- 作者机构：
  
  西安交通大学电工材料电气绝缘全国重点实验室，710049，西安
  西安交通大学电气工程学院，710049，西安
- 作者简介：
- 基金信息：
- DOI：10.7652/xjtuxb202606003
  CLC： TM911.1
- Received：19 September 2025，
  
  Published：10 June 2026
- 稿件说明：
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DONG Haojie, WANG Wenye, LIU Mengting, et al. Enhancing Electrochemical Performance of Layered Cathode Materials for Sodium-Ion Batteries via Dual-Ion Doping[J]. Journal of Xi'an Jiaotong University, 2026, 60(6): 39-49.
DOI：

DONG Haojie, WANG Wenye, LIU Mengting, et al. Enhancing Electrochemical Performance of Layered Cathode Materials for Sodium-Ion Batteries via Dual-Ion Doping[J]. Journal of Xi'an Jiaotong University, 2026, 60(6): 39-49. DOI： 10.7652/xjtuxb202606003.

摘要

针对传统的P2型层状过渡金属氧化物Na

2/3

1/3

2/3

在电化学反应过程中发生大体积结构变化和Na

/空位有序排布，导致容量与平均电压快速衰减的问题，采用双离子掺杂策略在晶格中引入Li

和Fe

合成了P2型正极材料Na

0.75

0.1

0.2

0.05

0.65

。通过系统的电化学测试、结构与形貌表征和密度泛函理论计算，分析正极材料的晶体结构变化、电化学性能、电荷补偿机制以及动态结构演变机制。结果表明，所设计的正极材料在2.2～4.4 V的电压范围内拥有133.5 mA·h·g

-1

的可逆容量、3.5V的工作电压以及出色的循环稳定性（100圈循环后容量保持率为92.4%），并具有良好的倍率性能（5C倍率下可逆容量为99.4 mA·h·g

-1

）。Li

和Fe

的协同作用实现了阴阳离子共同参与氧化还原，改善了材料的局部电子结构，降低了深度脱钠状态下的层间斥力，使得高电压区间的不可逆的大体积相变转变为了可逆的结构变化并且抑制了Na

/空位有序排布，提升了材料的结构稳定性。该研究利用双离子掺杂策略优化了层状正极材料的电化学性能，为开发高能量密度、长循环寿命的钠离子电池提供了参考。

Abstract

In response to the rapid decay of capacity and average voltage due to large-volume structural evolution and Na

/vacancy ordering that occur in the traditional P2-type layered transition metal oxide Na

2/3

1/3

2/3

during electrochemical reaction，a dual-ion doping strategy was employed tointroduce Li

and Fe

intothelattice，yieldingasynthetic P2-typecathodematerial Na

0.75

0.1

0.2

0.05

0.65

.Systematic electrochemical tests，structural and morphological characterization，and density functional theory calculations were conducted to analyze the crystal structure evolution，electrochemical performance，charge compensation mechanism，and dynamic structural evolution mechanism of the cathode material.The results showed that the designed cathode material delivered a reversible capacity of 133.5 mA·h·g

-1

within 2.2～4.4 V，a working voltage of 3.5 V，excellent cycling stability（capacity retention of 92.4% after 100 cycles）and good rate performance（reversible capacity of 99.4 mA·h·g

-1

at 5C）.The synergy between Li

and Fe

enabled joint participation of cations and anions in redox processes，modified the local electronic structure of the material，and alleviated the oxygen interlayer repulsion at deep state of charge.As a result，irreversible large-volume phase transitions within high voltage sections were transformed into reversible structural changes，Na

/vacancy ordering was suppressed，and the structural stability of the material was thereby improved.This study demonstrates that dual-ion doping can be used to optimize the electrochemical performance of layered cathode materials，providing a reference for the development of sodium-ion batteries with higher energy density and longer cycle life.

关键词

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