Interface engineering of Fe doped NiO/NiSe2 tailoring d-band center for enhanced oxygen evolution activity

IF 6.3 2区材料科学 Q2 CHEMISTRY, PHYSICAL

Applied Surface Science Pub Date : 2025-03-26 DOI:10.1016/j.apsusc.2025.163087

Xinbin Ma , Zeyuan Wang , Baoshan Hou , Yanxing Xu , Ruijian Dong , Cuijuan Xuan

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引用次数: 0

Abstract

Exploring high-efficiency non-precious metal-based electrocatalysts for the oxygen evolution reaction (OER) is pivotal to unlock sustainable hydrogen production through water electrolysis. Herein, we engineered iron-doped NiO/NiSe₂ (Fe-NiO/NiSe₂) heterostructured catalysts via a two-step solvothermal synthesis and low-temperature selenization. Simply control of calcination conditions enables regulated metal reduction/selenization, thereby tailoring different crystallographic phase and heterointerface formation. Density functional theory (DFT) calculations reveal that oxide/selenide heterointerfaces induce interfacial electron redistribution, reducing bandgap. Concurrently, heterointerface effects upshift d-band center positions compared with Fe-NiO, enhancing the reactivity of metal sites. Benefiting from strong interfacial coupling, enhanced charge transport, and excellent hydrophilicity, the Fe-NiO/NiSe₂ heterostructure delivers exceptional OER property with an overpotential of 251 mV at 10 mA cm⁻², surpassing commercial RuO₂. Furthermore, the Pt/C||Fe-NiO/NiSe₂ electrolyzer demonstrates remarkable overall-water-splitting performance and can working over 100 h continuous period. This work can provide a promising approach for the design and construction of heterointerfacial architectures.

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来源期刊

Applied Surface Science 工程技术-材料科学：膜

CiteScore

12.50

自引率

7.50%

发文量

3393

审稿时长

67 days

期刊介绍： Applied Surface Science covers topics contributing to a better understanding of surfaces, interfaces, nanostructures and their applications. The journal is concerned with scientific research on the atomic and molecular level of material properties determined with specific surface analytical techniques and/or computational methods, as well as the processing of such structures.