Chloride ion-capturing LaSrBO (B = Fe, Co) perovskite oxides achieving superior electrochemical desalination performance.

Journal: Materials horizons
Published Date: Jul 14, 2025

Abstract

Perovskite oxides (ABO), with a designable crystal structure, excellent conductivity and inherent oxygen vacancies, hold great promise in addressing the sluggish kinetics and poor stability of conventional Cl capturing electrodes used in capacitive deionization (CDI) for saline water desalination. However, Cl storage in perovskite oxides remains largely unexplored in the CDI field. This work unprecedentedly demonstrates that Cl intercalation can be realized for perovskite oxides. The cell parameters and formation energies of a series of ABO perovskite oxides were precisely predicted using machine learning (ML), while promising candidates (, LaFeO and LaCoO) for CDI were screened from unknown perovskite oxides. With partial substitution of Sr at the A-site of LaFeO, the LaSrFeO anode displays an excellent desalination rate (6.26 mg g min) and superior stability (80% retention after 100-cycle desalination), comparable to state-of-the-art Cl capturing electrodes. The superior desalination performance is attributed to the reversible redox activity of the Fe ions and the abundant oxygen vacancies. The underlying mechanism was revealed through various quasi- characterization studies and density functional theory calculations. This work pioneers the application of perovskite oxides in CDI and realizes the accelerated discovery of high-performance perovskite oxides for desalination an ML approach.

Authors

  • Fanyue Meng
    Shanghai Key Laboratory of Magnetic Resonance, School of Physics and Electronic Science, Institute of Magnetic Resonance and Molecular Imaging in Medicine, East China Normal University, Shanghai 200241, China. lkpan@phy.ecnu.edu.cn.
  • Hao Wang
    Department of Cardiology, Second Medical Center, Chinese PLA General Hospital, Beijing, China.
  • Xiaoyang Xuan
    College of Chemistry and Chemical Engineering, Taishan University, Taian, Shandong 271000, China.
  • Yong Liu
    Department of Critical care medicine, Shenzhen Hospital, Southern Medical University, Guangdong, Shenzhen, China.
  • Yuquan Li
    College of Chemistry and Chemical Engineering at Lanzhou University.
  • Xingtao Xu
    Marine Science and Technology College, Zhejiang Ocean University, Zhoushan, Zhejiang 316022, China. xingtao.xu@zjou.edu.cn.
  • Likun Pan
    Shanghai Key Laboratory of Magnetic Resonance, School of Physics and Electronic Science, East China Normal University, Shanghai 200241, China.

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