Copper hexacyanoferrate framework with dual redox centers for selective lithium extraction in hybrid capacitive deionization

Li Zhang; Shuyu Wang; Cuijiao Zhao; Menglong Liu; Tao Ye; Wenwen Ding; Hongjian Zhou; Zhongti Sun; Weiji Dai; Saifang Huang

doi:10.1016/j.cjche.2025.09.008

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Copper hexacyanoferrate framework with dual redox centers for selective lithium extraction in hybrid capacitive deionization

Updated：2026-02-12

- Copper hexacyanoferrate framework with dual redox centers for selective lithium extraction in hybrid capacitive deionization
- Chinese Journal of Chemical Engineering Vol. 88, Issue 12, Pages: 256-264(2025)
- Affiliations：
  
  1. School of Materials Science and Engineering, Jiangsu University of Science and Technology,Zhenjiang,China,212100
  2. School of Materials Science and Engineering, Jiangsu University,Zhenjiang,China,212013
  3. School of Architecture and Civil Engineering, Jiangsu University of Science and Technology,Zhenjiang,China,212100
  4. Key Laboratory of Materials Physics, Anhui Key Laboratory of Nanomaterials and Nanotechnology, Institute of Solid State Physics, Hefei Institutes of Physical Science, Chinese Academy of Sciences,Hefei,China,230031
  5. School of Materials Science and Engineering, Anhui Province Key Laboratory of Efficient Conversion and Solid-State Storage of Hydrogen & Electricity, Anhui University of Technology, Maanshan,China,243002
- Author bio：
- Funds：
- DOI：10.1016/j.cjche.2025.09.008
  CLC：
- Published：2025
- Accepted：
Scan QR Code
Li Zhang, Shuyu Wang, Cuijiao Zhao, Menglong Liu, Tao Ye, Wenwen Ding, Hongjian Zhou, Zhongti Sun, Weiji Dai, Saifang Huang. Copper hexacyanoferrate framework with dual redox centers for selective lithium extraction in hybrid capacitive deionization[J]. Chinese Journal of Chemical Engineering, 2025, 88(12): 256-264.
DOI：

Li Zhang, Shuyu Wang, Cuijiao Zhao, Menglong Liu, Tao Ye, Wenwen Ding, Hongjian Zhou, Zhongti Sun, Weiji Dai, Saifang Huang. Copper hexacyanoferrate framework with dual redox centers for selective lithium extraction in hybrid capacitive deionization[J]. Chinese Journal of Chemical Engineering, 2025, 88(12): 256-264. DOI： 10.1016/j.cjche.2025.09.008.

摘要

Abstract

Developing selective electrodes for lithium extraction from brines remains challenging. This work reports room-temperature synthesized cubic copper hexacyanoferrate (CuHCF) nanoparticles for hybrid capacitive deionization (HCDI). The CuHCF framework exhibits a high surface area (715.84 m

·g

-1

)

dual redox-active sites ([Fe

III

(CN)

]

/[Fe

(CN)

]

and Cu

/Cu

)

and excellent cyclability (99.4% capacity retention after 1000 cycles). In HCDI system

the CuHCF cathode demonstrates remarkable Li

ions selectivity

achieving a 25.5 mg·g

-1

adsorption capacity in 500 mg·L

-1

LiCl solution with 94% charge efficiency at 1.2 V. Notably

in mixed Li

/Mg

solutions (30:1 molar ratio)

CuHCF nanoparticles maintain a high separation coefficient of 3.1

attributed to the synergistic effects of ionic sieving and preferential redox interactions. Mechanistic studies confirm Li

(de)intercalation

via

reversible [Fe

III

(CN)

]

/[Fe

(CN)

]

and Cu

/Cu

transitions. Density functional theory calculations reveal Li

exhibits lower adsorption energy than Mg

(-3.72 eV

vs.

-1.49 eV)

which fundamentally explains the preferential extraction capability of Li

ions over Mg

ions during the separation process. This study advances ion-selective pseudocapacitor design for sustainable lithium extraction from high-salinity resources.

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