Fundamental investigations into the activity and stability of earth-abundant bimetallic catalysts for the oxygen evolution reaction

Quantifying electrocatalyst degradation under realistic operating conditions remains a major challenge for the development of stable, earth-abundant oxygen evolution reaction (OER) anodes. Here, we establish laboratory‐scale methods to measure Fe dissolution from FeOOH in strongly alkaline electrolyte (14 M KOH, pH 15.8) at 1.5–2.0 VRHE, combining acid–base titration and X‐ray fluorescence spectroscopy to achieve full Fe mass balances across the electrode, electrolyte, and precipitates. Steady‐state FeOOH anodes exhibit dissolution rates of 0.15–0.30 mgFe cm⁻² h⁻¹ near the OER onset (∼1.75 VRHE), corresponding to <5 % of the total current, indicating that Faradaic efficiency alone cannot assess stability. Measurements with an Fe pseudo‐reference electrode suggest a non‐Faradaic dissolution pathway that persists even when current densities of ∼100 mA cm⁻² are maintained for >50 h. We further examine bimetallic FeM₂ (M₂ = Sn, Hf, Mn, Se) alloys prepared by electrodeposition. Across compositions, dissolution rates exceed those of pure Fe and scale with Tafel slope, implicating surface charge segregation as a key determinant of lattice stability. More electronegative alloying elements stabilize Fe⁴⁺, lower OER onset potentials and slow dissolution; while less electronegative elements produce hydroxyl‐rich, more reduced surfaces and accelerate loss. Spin‐polarized DFT+U calculations on FeOOH and FeSnOOH supercells reveal that Sn stabilizes Fe⁴⁺ but increases charge separation, consistent with improved kinetics yet higher dissolution rates. These findings provide design criteria for durable Fe‐based OER anodes: alloy with elements more electronegative than Fe that favor a 4+ oxidation state, while engineering homogeneous surface charge to suppress non‐Faradaic Fe loss. The methodology enables quantitative, mechanistically informed stability assessment across a broad range of catalytic materials.

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Journal
ChemRxiv
Published
2025-08-31
DOI
https://doi.org/10.26434/chemrxiv-2025-4nzrw
Primary Topic
Electrocatalysts for Energy Conversion
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article
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article

Fundamental investigations into the activity and stability of earth-abundant bimetallic catalysts for the oxygen evolution reaction

Foroogh Khezeli, Theodore W. Walker, Craig Plaisance, Shayan Hoseini
ChemRxiv
Electrocatalysts for Energy Conversion
article

Fundamental investigations into the activity and stability of earth-abundant bimetallic catalysts for the oxygen evolution reaction

Foroogh Khezeli, Theodore W. Walker, Craig Plaisance, Shayan Hoseini
article en

Abstract

Quantifying electrocatalyst degradation under realistic operating conditions remains a major challenge for the development of stable, earth-abundant oxygen evolution reaction (OER) anodes. Here, we establish laboratory‐scale methods to measure Fe dissolution from FeOOH in strongly alkaline electrolyte (14 M KOH, pH 15.8) at 1.5–2.0 VRHE, combining acid–base titration and X‐ray fluorescence spectroscopy to achieve full Fe mass balances across the electrode, electrolyte, and precipitates. Steady‐state FeOOH anodes exhibit dissolution rates of 0.15–0.30 mgFe cm⁻² h⁻¹ near the OER onset (∼1.75 VRHE), corresponding to <5 % of the total current, indicating that Faradaic efficiency alone cannot assess stability. Measurements with an Fe pseudo‐reference electrode suggest a non‐Faradaic dissolution pathway that persists even when current densities of ∼100 mA cm⁻² are maintained for >50 h. We further examine bimetallic FeM₂ (M₂ = Sn, Hf, Mn, Se) alloys prepared by electrodeposition. Across compositions, dissolution rates exceed those of pure Fe and scale with Tafel slope, implicating surface charge segregation as a key determinant of lattice stability. More electronegative alloying elements stabilize Fe⁴⁺, lower OER onset potentials and slow dissolution; while less electronegative elements produce hydroxyl‐rich, more reduced surfaces and accelerate loss. Spin‐polarized DFT+U calculations on FeOOH and FeSnOOH supercells reveal that Sn stabilizes Fe⁴⁺ but increases charge separation, consistent with improved kinetics yet higher dissolution rates. These findings provide design criteria for durable Fe‐based OER anodes: alloy with elements more electronegative than Fe that favor a 4+ oxidation state, while engineering homogeneous surface charge to suppress non‐Faradaic Fe loss. The methodology enables quantitative, mechanistically informed stability assessment across a broad range of catalytic materials.

ChemRxiv
Louisiana State University (US), Syracuse University (US)
Openalex Percentile: Top 85%
Electrocatalysts for Energy Conversion
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