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Updated: May 13, 2026

Tuning Oxide Properties by Oxygen Vacancy Control During Growth and Annealing
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Published on: June 9, 2023

Defect-Induced Dynamic Reconstruction Boosts Oxygen Evolution Activity of Perovskite Oxides.

Yan Sun1,2, Feng Wang1,3, Zong-Rui Zheng1

  • 1State Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China.

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Summary

Oxygen vacancies in lanthanum nickelate (LNO) catalysts enhance green hydrogen production by triggering La leaching and forming a highly active phase. This research clarifies their role in the oxygen evolution reaction (OER).

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Area of Science:

  • Materials Science
  • Electrochemistry
  • Catalysis

Background:

  • Renewable energy storage requires efficient methods like electrochemical water splitting for green hydrogen production.
  • The oxygen evolution reaction (OER) is a bottleneck in water splitting, with perovskite oxides like lanthanum nickelate (LNO) showing promise as catalysts.
  • The precise role of oxygen vacancies in enhancing OER activity in LNO catalysts remains unclear due to dynamic interfacial changes.

Purpose of the Study:

  • To investigate the role of oxygen vacancies in lanthanum nickelate (LNO) thin films during the oxygen evolution reaction (OER).
  • To elucidate the atomic-level structure-activity relationships and mechanisms driving catalyst activation.

Main Methods:

  • Epitaxial LNO thin films with controlled oxygen vacancy concentrations were synthesized.
  • Electrochemical atomic force microscopy (EC-AFM), Raman spectroscopy, and angle-resolved X-ray photoelectron spectroscopy (ARXPS) were used for in-situ characterization.
  • Machine learning molecular dynamics (MLMD) was employed to understand the active phase formation mechanism.

Main Results:

  • Oxygen vacancies were found to induce lanthanum leaching from the LNO structure.
  • This leaching leads to structural distortion and reconfiguration into a highly active catalytic phase, identified as γ-NiOOH.
  • Atomic-level insights into the dynamic evolution of the catalyst surface during OER were obtained.

Conclusions:

  • Oxygen vacancies play a crucial role in activating LNO catalysts for OER by facilitating the formation of the γ-NiOOH active phase.
  • Understanding these vacancy-induced transformations provides a rational design strategy for advanced OER catalysts.
  • This work establishes clear structure-activity relationships for improved green hydrogen production catalysts.