Oxygen-vacancy rich IrxMo1−xOy nanofibers for oxygen evolution reaction: excellent pH-universal and electrolyte-concentration-independent catalytic activity

Ahn, Sung Hwa; Jin, Dasol; Lee, Chongmok; Lee, Young-Mi

doi:10.1039/d3ta01614e

Cited by 7 publications

(1 citation statement)

References 60 publications

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“…Another material of interest identified in our Bayesian ML screening that has not been thoroughly analyzed previously is Ir–Mo oxide. While the Bayesian optimization described above suggests that this material should be relatively stable, there are only a few conflicting reports on its activity and limited work characterizing the impact of Mo doping on Ir stability. ,− Due to the low cost of Mo and therefore a potential appeal of the mixed Ir 0.5 Mo 0.5 O x oxide, we rigorously experimentally investigated its performance in acidic OER.…”

Section: Resultsmentioning

confidence: 99%

High-Performance Iridium–Molybdenum Oxide Electrocatalysts for Water Oxidation in Acid: Bayesian Optimization Discovery and Experimental Testing

Esterhuizen,

Mathur,

Goldsmith

et al. 2024

J. Am. Chem. Soc.

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Ir oxides are costly and scarce catalysts for oxygen evolution reaction (OER) in acid. There has been extensive interest in developing alternatives that are either Ir-free or require smaller amounts of Ir to drive the reactions at acceptable rates. One design strategy is to identify Ir-based mixed oxides that achieve similar performance while requiring smaller amounts of Ir. The obstacle to this strategy has been a very large phase space of the Ir-based mixed metal oxides, in terms of the metals combined with Ir and the different crystallographic structures of the mixed oxides, which prevents a thorough exploration of possible materials. In this work, we developed a workflow that uses machine-learning-aided Bayesian optimization in combination with density functional theory to make the exploration of this phase space plausible. This screening identified Mo as a promising dopant for forming acid-tolerant Ir-based oxides for the OER. We synthesized and characterized the Ir−Mo mixed oxides in the form of thin-film electrocatalysts with a known surface area. We show that these mixed oxides exhibited overpotentials ∼30 mV lower than a pure Ir control while maintaining 24% lower Ir dissolution rates than the Ir control. These findings suggest that Mo is a promising dopant and highlight the promise of machine learning to guide the experimental exploration and optimization of catalytic materials.

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Section: Resultsmentioning

confidence: 99%

High-Performance Iridium–Molybdenum Oxide Electrocatalysts for Water Oxidation in Acid: Bayesian Optimization Discovery and Experimental Testing

Esterhuizen,

Mathur,

Goldsmith

et al. 2024

J. Am. Chem. Soc.

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show abstract

Enhanced conversion of methane to liquid-phase oxygenates via hollow ferrite nanotube@horseradish peroxidase based photoenzymatic catalysis

Duan,

Fan,

et al. 2025

Applied Catalysis B: Environment and Energy

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Porous amorphous high entropy oxide coated dimensionally stable anode for oxygen evolution reaction in acidic media

Dai,

Wang,

et al. 2025

Applied Surface Science

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Oxygen-vacancy rich Ir_xMo_1−xO_y nanofibers for oxygen evolution reaction: excellent pH-universal and electrolyte-concentration-independent catalytic activity

Abstract: Binary mixed oxide nanomaterials having iridium (Ir) and molybdenum (Mo) were synthesized with electrospinning and post-thermal annealing process. The synthesized nanomaterials with various composition ratios (IrxMo1−xOy, x = 0.14, 0.36,...

Cited by 7 publications

References 60 publications

High-Performance Iridium–Molybdenum Oxide Electrocatalysts for Water Oxidation in Acid: Bayesian Optimization Discovery and Experimental Testing

High-Performance Iridium–Molybdenum Oxide Electrocatalysts for Water Oxidation in Acid: Bayesian Optimization Discovery and Experimental Testing

Enhanced conversion of methane to liquid-phase oxygenates via hollow ferrite nanotube@horseradish peroxidase based photoenzymatic catalysis

Porous amorphous high entropy oxide coated dimensionally stable anode for oxygen evolution reaction in acidic media

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