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<p>Doped perovskite oxides are efficient electrocatalysts for water oxidation; however, the mechanism of O-site doping remains unclear. This study proposes a long-range electron-rich optimization mechanism for Cl doped LaCoO<sub>3</sub>, involving the formation of ultra-long Co–Cl bonds as a result of lattice distortion induced by Cl doping at the O site. This catalyst exhibited excellent oxygen evolution reaction activity and stability. Theoretical calculations revealed that the ultra-long Co–Cl bond enables an electron-rich state at the Co sites, weakening the Co–O lattice bonding and facilitating the conversion of lattice O into bulk-phase O species, thus enhancing the performance of oxygen evolution reaction. This study introduces a novel regulatory mechanism for doped perovskite oxide catalysts to enhance water oxidation.</p>

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Long-range electron-rich optimization of Cl doped LaCoO3 catalyst for efficient electrocatalytic water oxidation

  • 期刊论文

  • 发表日期：

    2025年8月19日

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  • Fei Jiang,
  • Jiaye Li,
  • Yingying Liu,
  • Kun Hu,
  • Yan Lin,
  • Chao Feng,
  • Yuan Pan

摘要

Doped perovskite oxides are efficient electrocatalysts for water oxidation; however, the mechanism of O-site doping remains unclear. This study proposes a long-range electron-rich optimization mechanism for Cl doped LaCoO3, involving the formation of ultra-long Co–Cl bonds as a result of lattice distortion induced by Cl doping at the O site. This catalyst exhibited excellent oxygen evolution reaction activity and stability. Theoretical calculations revealed that the ultra-long Co–Cl bond enables an electron-rich state at the Co sites, weakening the Co–O lattice bonding and facilitating the conversion of lattice O into bulk-phase O species, thus enhancing the performance of oxygen evolution reaction. This study introduces a novel regulatory mechanism for doped perovskite oxide catalysts to enhance water oxidation.