Selective Atomic Incorporation: Synergistically Tailoring Adsorbate Evolution and Lattice Oxygen Pathways for Enhanced Water Oxidation

Oxygen evolution reaction (OER) remains a key bottleneck in water splitting, hindered by sluggish kinetics and complex catalytic mechanisms. Here, we synergistically tailor adsorbate evolution mechanism (AEM) and lattice oxygen mechanism (LOM) for enhanced water oxidation by selectively doping atomic Ir into binary metal oxide NiMoO<sub>4</sub>. Microscopic characterization and density functional theory (DFT) calculations confirm that atomic Ir preferentially occupies the octahedral Mo sites in NiMoO<sub>4</sub>. The selective Ir incorporation upshifts O 2p orbital energy, activating lattice oxygen bridging Ni and Ir (Ni─O─Ir). This enables synergistic AEM and LOM activation, validated by in situ spectroscopy/mass spectrometry and chemical probes. Benefiting from the synergistic mechanism, the optimized Ir-NMO (NM<sub>98</sub>I<sub>2</sub>O) catalyst exhibits superior OER performance: low overpotential (253 mV at 10 mA cm<sup>-2</sup>), exceptional stability (>1000 h continuous operation), and good practicality in water electrolyzers.

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Publication Details

Journal
Angewandte Chemie International Edition
Published
2025-09-25
DOI
https://doi.org/10.1002/anie.202516903
Citations
7
Primary Topic
Electrocatalysts for Energy Conversion
Type
article
Field-Weighted Citation Impact
2.54
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article

Selective Atomic Incorporation: Synergistically Tailoring Adsorbate Evolution and Lattice Oxygen Pathways for Enhanced Water Oxidation

Daqiang Gao, Laiquan Li, Dongliang Chao, Xuebing Peng et al.
7 citations
Angewandte Chemie International Edition
Electrocatalysts for Energy Conversion
2.54
article

Selective Atomic Incorporation: Synergistically Tailoring Adsorbate Evolution and Lattice Oxygen Pathways for Enhanced Water Oxidation

Daqiang Gao, Laiquan Li, Dongliang Chao, Xuebing Peng, Yuhang Liu, Guo Mi, Jinli Zhu
article en
7 citations

Abstract

Oxygen evolution reaction (OER) remains a key bottleneck in water splitting, hindered by sluggish kinetics and complex catalytic mechanisms. Here, we synergistically tailor adsorbate evolution mechanism (AEM) and lattice oxygen mechanism (LOM) for enhanced water oxidation by selectively doping atomic Ir into binary metal oxide NiMoO<sub>4</sub>. Microscopic characterization and density functional theory (DFT) calculations confirm that atomic Ir preferentially occupies the octahedral Mo sites in NiMoO<sub>4</sub>. The selective Ir incorporation upshifts O 2p orbital energy, activating lattice oxygen bridging Ni and Ir (Ni─O─Ir). This enables synergistic AEM and LOM activation, validated by in situ spectroscopy/mass spectrometry and chemical probes. Benefiting from the synergistic mechanism, the optimized Ir-NMO (NM<sub>98</sub>I<sub>2</sub>O) catalyst exhibits superior OER performance: low overpotential (253 mV at 10 mA cm<sup>-2</sup>), exceptional stability (>1000 h continuous operation), and good practicality in water electrolyzers.

Angewandte Chemie International EditionVol. 64(46)
University of Shanghai for Science and Technology (CN), Collaborative Innovation Center of Chemistry for Energy Materials (CN), Lanzhou University (CN)
Openalex Percentile: Top 10%
Electrocatalysts for Energy Conversion
2.54
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