Mitigating over-oxidation and optimizing electronic structure of ruthenium sites by binary Ni-Mo ₂ N support for enhanced oxygen evolution reaction

IF 9.4 2区材料科学 Q1 CHEMISTRY, PHYSICAL

Nano Research Pub Date : 2025-12-31 DOI:10.26599/nr.2026.94908372

Meishu Xin, Aiping Wu, Dongxu Wang, Youming Dong, Yuying Fan, Xianyun Yue, Chungui Tian, Honggang Fu

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引用次数: 0

Abstract

Ruthenium-based catalysts face significant challenges of electrochemical dissolution and slow reaction kinetics for the oxygen evolution reaction (OER). Here, we have shown the enhancement of the activity and stability of Ru doped on a binary Ni-Mo₂N support with 3D filamentous network structure (Ru/Ni-Mo₂N) for OER. X-ray photoelectron spectroscopy (XPS) reveals the increase of the electron density around Ru sites by the interaction with Ni-Mo₂N. Density functional theory (DFT) calculations confirm that this interaction induces a downshift of the d-band center of Ru sites, leading to optimized adsorption energies of intermediates on Ru and enhanced OER performance. Moreover, the sacrificial behavior of Ni effectively mitigates Ru over-oxidation and dissolution, thereby enhancing OER stability. Also, the 3D filamentous network structure with abundant pores is favorable to accelerate the transfer of electrolyte. As a result, the Ru/Ni-Mo₂N requires an overpotential of 251 mV to achieve 20 mA cm^-2, being 83 mV lower than that of Ru-Mo₂N. An anion exchange membrane water electrolyzer (AEMWE) (Pt/C||Ru/Ni-Mo₂N) delivers a voltage of 1.78 V at 500 mA cm^-2, superior to that of the Pt/C||RuO₂ (1.97 V @ 500 mA cm^-2), and exhibits stable operation for over 500 h. This study demonstrates the critical role of the binary support in enhancing the catalytic activity and stability of Ru-based catalysts.

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利用二元Ni-Mo - 2 N载体减轻钌位过度氧化和优化电子结构，促进析氧反应

钌基催化剂在电化学溶解和缓慢的析氧反应动力学方面面临重大挑战。在这里，我们证明了Ru掺杂在具有三维丝状网络结构的二元Ni-Mo2N载体（Ru/Ni-Mo2N）上对OER的活性和稳定性的增强。x射线光电子能谱（XPS）显示，与Ni-Mo2N的相互作用使Ru位点周围的电子密度增加。密度泛函理论（DFT）计算证实，这种相互作用导致Ru位点的d波段中心下移，导致中间体在Ru上的吸附能优化，OER性能增强。此外，Ni的牺牲行为有效地减轻了Ru的过氧化和溶解，从而提高了OER的稳定性。此外，具有丰富孔隙的三维丝状网络结构有利于加速电解质的转移。因此，Ru/Ni-Mo2N需要251 mV的过电位才能达到20 mA cm-2，比Ru- mo2n低83 mV。阴离子交换膜水电解槽（Pt/C||Ru/Ni-Mo2N）在500 mA cm-2时的电压为1.78 V，优于Pt/C||RuO2 (1.97 V @ 500 mA cm-2)，并且稳定运行超过500 h。本研究证明了二元载体在提高Ru基催化剂的催化活性和稳定性方面的关键作用。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Nano Research 化学-材料科学：综合

CiteScore

14.30

自引率

11.10%

发文量

2574

审稿时长

1.7 months

期刊介绍： Nano Research is a peer-reviewed, international and interdisciplinary research journal that focuses on all aspects of nanoscience and nanotechnology. It solicits submissions in various topical areas, from basic aspects of nanoscale materials to practical applications. The journal publishes articles on synthesis, characterization, and manipulation of nanomaterials; nanoscale physics, electrical transport, and quantum physics; scanning probe microscopy and spectroscopy; nanofluidics; nanosensors; nanoelectronics and molecular electronics; nano-optics, nano-optoelectronics, and nano-photonics; nanomagnetics; nanobiotechnology and nanomedicine; and nanoscale modeling and simulations. Nano Research offers readers a combination of authoritative and comprehensive Reviews, original cutting-edge research in Communication and Full Paper formats. The journal also prioritizes rapid review to ensure prompt publication.