Spatially segregated sites on Mo/V-dual-tailored Ru metallic glass nanosheets accelerate alkaline hydrogen evolution

IF 9.4 2区材料科学 Q1 CHEMISTRY, PHYSICAL

Nano Research Pub Date : 2025-11-04 DOI:10.26599/nr.2025.94908226

Fenyang Tian, Tongbo Zhang, Menggang Li, Longyu Qiu, Fengyu Wu, Sheng Zeng, Lin He, Tianci Wei, Jie Sheng, Shuo Geng, Weiwei Yang, Yongsheng Yu

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引用次数: 6

Abstract

Alkaline hydrogen evolution reaction (HER) is a cornerstone for efficient green hydrogen production via anion exchange membrane water electrolysis (AEMWE), yet suffering from sluggish water dissociation kinetics. Ruthenium (Ru)-based catalysts exhibit Pt-like activity at a fraction of the cost, but their performance is hampered by excessive hydroxide accumulation on Ru sites, a consequence of their overly strong oxygen affinity and suboptimal d-band center. Herein, we reported a class of Mo/V-dual-tailored Ru metallic glass nanosheets (Mo/V-Ru NSs) to enable spatial segregation of water dissociation sites (on Mo/V) from hydrogen evolution sites (on Ru), achieving the acceleration of alkaline HER electrocatalysis. The optimized Mo/V-Ru NSs deliver outstanding alkaline HER performance, with overpotentials of 36 mV and 86 mV at 10 and 100 mA cm⁻², respectively, outperforming pure Ru counterparts and commercial Pt/C. Remarkably, the Mo/V-Ru NSs-based AEMWE can achieve a high current density of 100 mA cm⁻² at a low cell voltage of 1.68 V and exhibit excellent durability for over 120 h. In-situ Fourier transform infrared (FT-IR) spectroscopy elucidate the role of Mo and V in water adsorption and O-H bond cleavage, synergistically lowering the water dissociation barrier. Density functional theory (DFT) calculations and ab initio molecular dynamics (AIMD) simulations confirm enhanced water adsorption on Mo/V sites and preferential Ru-H coordination, supporting the site-segregation mechanism.

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Mo/ v双定制Ru金属玻璃纳米片上的空间分离位点加速了碱氢的析出

碱性析氢反应（HER）是阴离子交换膜电解高效绿色制氢的基础，但其水解离动力学缓慢。钌（Ru）基催化剂表现出类似pt的活性，但其成本仅为pt的一小部分，但其性能受到Ru位点上过量氢氧化物积累的阻碍，这是它们的氧亲和性太强和d带中心次优的结果。在此，我们报道了一类Mo/V-双定制Ru金属玻璃纳米片（Mo/V-Ru NSs），使水解离位点（Mo/V上）和析氢位点（Ru上）在空间上分离，实现了碱性HER电催化的加速。优化后的Mo/V-Ru NSs具有出色的碱性HER性能，在10和100 mA cm⁻2下的过电位分别为36 mV和86 mV，优于纯Ru NSs和商用Pt/C。值得注意的是，Mo/V- ru nss基AEMWE可以在1.68 V的低电池电压下实现100 mA cm−2的高电流密度，并具有超过120 h的优异耐久性。原位傅里叶变换红外光谱（FT-IR）阐明了Mo和V在水吸附和O-H键裂解中的作用，协同降低了水解离屏障。密度泛函理论（DFT）计算和从头算分子动力学（AIMD）模拟证实了Mo/V位点上的水吸附增强和Ru-H优先配位，支持位点分离机制。

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.