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

Abstract

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.

Graphical abstract

Keywords

electrocatalysts / perovskite oxides / single site / oxygen evolution reaction

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