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Impurity-Driven Interfacial Reconstruction Unlocks Highly Active Sites in Ni-Fe Selenides for Water Oxidation
Yeongeun Jang1, Min-Kyu Son2, Seunghwa Lee1
1Department of Chemical Engineering, Changwon National University, 51140 Changwon, Republic of Korea.
Nano Letters
|August 15, 2025
Summary
Surface-active sites for oxygen evolution reaction (OER) catalysis emerge from dynamic interfacial restructuring in nickel-iron selenide systems. Selenium
Area of Science:
- Electrochemistry
- Materials Science
- Catalysis
Background:
- Understanding active site emergence is crucial for advancing oxygen evolution reaction (OER) catalysts.
- Nickel-iron selenide systems are promising OER catalysts, but their dynamic behavior requires further investigation.
Purpose of the Study:
- Investigate dynamic reconstruction in Ni-Fe selenide systems during OER.
- Elucidate the role of selenium (Se) in surface reorganization and iron (Fe) activation.
- Compare catalytic performance based on different doping and modification strategies.
Main Methods:
- Comparative analysis of bulk-doped NiFeSe, surface-adsorbed Fe-NiSe, and sequentially modified Se1-Fe2-Ni systems.
- Operando Raman spectroscopy and X-ray photoelectron spectroscopy (XPS) analyses.
- Evaluation of catalytic performance and interfacial dynamics.
Main Results:
- Catalytic performance is dictated by interfacial dynamics, not bulk composition.
- Key signatures of active sites include Se-Se species and Fe3+ in selenide environments.
- Fe-NiSe and Se1-Fe2-Ni exhibit unique interfacial restructuring via Se dissolution and readsorption, forming disordered, active surface phases.
Conclusions:
- Dynamic interfacial restructuring, driven by selenium, is key to generating active sites for OER.
- Disordered surface phases formed through Se-mediated processes enhance OER kinetics.
- Tailoring interfacial dynamics offers a pathway to design superior OER catalysts.

