NiFe Catalysts for Oxygen Evolution Reaction: Is There an Optimal Thickness for Generating a Dynamically Stable Active Interface?

Ciambriello, Luca; Alessandri, Ivano; Gavioli, Luca; Vassalini, Irene

doi:10.1002/cctc.202400286

ChemCatChem

2024

DOI: 10.1002/cctc.202400286

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NiFe Catalysts for Oxygen Evolution Reaction: Is There an Optimal Thickness for Generating a Dynamically Stable Active Interface?

Luca Ciambriello,

Ivano Alessandri,

Luca Gavioli

et al.

Abstract: Here we investigated the dynamics of OER activity of NiFe (90/10) catalysts over 1000 potential sweep cycles as a function of their mass loading. Over twenty different films with mass loading in the 10 ng/cm2‐30 μg/cm2 range were deposited by Supersonic Cluster Beam Deposition (SCBD), allowing to study the progress of OER in sub‐monolayer, monolayer and multilayer regimes. Upon prolonged potential sweeps the electrocatalytic performances of multilayers decreased, while those of monolayers were significantly im… Show more

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Cited by 3 publications

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Effect of Iron Doping in Ordered Nickel Oxide Thin Film Catalyst for the Oxygen Evolution Reaction

Etxebarria,

Lopez Luna,

Martini

et al. 2024

ACS Catal.

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Water splitting has emerged as a promising route for generating hydrogen as an alternative to conventional production methods. Finding affordable and scalable catalysts for the anodic half-reaction, the oxygen evolution reaction (OER), could help with its industrial widespread implementation. Ironcontaining Ni-based catalysts have a competitive performance for the use in commercial alkaline electrolyzers. Due to the complexity of studying the catalysts at working conditions, the active phase and the role that iron exerts in conjunction with Ni are still a matter of investigation. Here, we study this topic with NiO(001) and Ni 0.75 Fe 0.25 O x (001) thin film model electrocatalysts employing surface-sensitive techniques. We show that iron constrains the growth of the oxyhydroxide phase formed on top of the Ni or NiFe oxide, which is considered the active phase for the OER. Besides, operando Raman and grazing incidence X-ray absorption spectroscopy experiments reveal that the presence of iron affects both, the disorder level of the active phase and the oxidative charge around Ni during OER. The observed compositional, structural, and electronic properties of each system have been correlated with their electrochemical performance.

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Effect of Iron Doping in Ordered Nickel Oxide Thin Film Catalyst for the Oxygen Evolution Reaction

Etxebarria,

Lopez Luna,

Martini

et al. 2024

ACS Catal.

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Prediction of Oxygen Evolution Activity for FeCoMn Oxide Catalysts via Machine Learning

Zhang,

Hou,

et al. 2024

Catalysts

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Electrolytic hydrogen production from water is a promising approach for obtaining clean energy. The development of efficient oxygen evolution reaction (OER) electrocatalysts is crucial for the generation of hydrogen through water electrolysis. Transition metal oxides, such as Fe, Co, and Mn, have shown potential as efficient OER electrocatalysts for water splitting. However, accurately predicting their electrocatalytic performance in complex compositional spaces remains a challenge, impeding the precise design of compositions and processes for optimal performance. Herein, a machine learning-based method is proposed for predicting the OER activity of (FeCoMn)Ox catalysts across a wide range of compositions. Physical features that are highly relevant to the OER overpotential (OP) are identified and analyzed. The random forest algorithm is successfully used to establish the relationship between composition and overpotential. The model demonstrates good accuracy in predicting the outcomes of new experiments, with a mean relative error (MRE) of 9.3%. The features based on covalent radius (RC) and the number of electrons in the outermost d orbitals (DEs) are the primary factors. Their variances (δRC and δDE) exhibit a linearly decreasing relationship with the overpotential (OP), providing direct guidance for designing OP-oriented components. This work presents an effective and innovative approach for predicting and analyzing the physical factors of transition metal oxide electrocatalysts, which can enhance the design of highly catalytic materials for electrocatalysis.

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An Impact of Prolonged Electrolysis on the Electrochemical Performance and Surface Characteristics of NiFe-Modified Graphite Electrodes for Alkaline Water Electrolysis

Kuczyński,

Mikołajczyk,

Pierożyński

et al. 2024

Molecules

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This study investigates the influence of prolonged electrolysis on the electrochemical performance and surface characteristics of NiFe-modified compressed graphite electrodes used in alkaline water electrolysis. The electrochemical experiment was conducted over a two-week period at a constant temperature of 60 °C. The electrodes were evaluated for changes in surface morphology and composition using scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDS), and X-ray diffraction (XRD). The results demonstrated stable electrochemical performance with minimal current variation. However, significant structural changes occurred, including the formation of new microstructures on the cathode and the emergence of KHCO3 (potassium bicarbonate) compound on both electrodes. Crystallographic analysis revealed an increase in crystallite size and tensile lattice strain on the cathode, while the anode exhibited compressive lattice strains and a reduction in crystallite size. These findings suggest that the observed changes were driven by electrochemical annealing processes, contributing to material redistribution and surface modifications during prolonged electrolysis. This study provides insight into optimizing NiFe-based catalysts for enhanced durability and efficiency in water splitting technologies.

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NiFe Catalysts for Oxygen Evolution Reaction: Is There an Optimal Thickness for Generating a Dynamically Stable Active Interface?

Cited by 3 publications

References 21 publications

Effect of Iron Doping in Ordered Nickel Oxide Thin Film Catalyst for the Oxygen Evolution Reaction

Effect of Iron Doping in Ordered Nickel Oxide Thin Film Catalyst for the Oxygen Evolution Reaction

Prediction of Oxygen Evolution Activity for FeCoMn Oxide Catalysts via Machine Learning

An Impact of Prolonged Electrolysis on the Electrochemical Performance and Surface Characteristics of NiFe-Modified Graphite Electrodes for Alkaline Water Electrolysis

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