Modulating the Structure of Interfacial Water via Oxygen‐Coordinated Tungsten Single‐Atom on Nickel Sulfide Slab to Boost Alkaline Hydrogen Evolution

IF 26 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Advanced Energy Materials Pub Date : 2025-09-02 DOI:10.1002/aenm.202503257

Wen‐Gang Cui, Xiangrong Ren, Shoudong Wang, Yingxian Zhang, Zhenglong Li, Ke Wang, Fan Gao, Zichao Shen, Yanxia Liu, Xingqiang Wang, Zhijun Wu, Yaxiong Yang, Dingsheng Wang, Hongge Pan

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引用次数: 0

Abstract

The sluggish kinetics of the Volmer step (water dissociation) in alkaline hydrogen evolution reaction (HER) remain a critical bottleneck. Herein, an oxygen‐coordinated tungsten single‐atom anchored on nickel sulfide (W1O/NiS) slabs is proposed to dynamically modulate the interfacial water network. Combining experimental and theoretical approaches, it is revealed that the atomic‐level W1O motifs induce a localized electric field, which affords an enriched supply of free water at the inner Helmholtz plane (IHP), as well as reorients interfacial water molecules to a “H‐down” configuration. This structural transition lowers the energy barrier of the Volmer step (H2O + e− → H* + OH−) from 2.41 to 1.02 eV, thereby enhancing the alkaline HER activity. As a result, the developed W1O/NiS catalyst achieves an ultralow overpotential of 76 and 236 mV at 10 and 1000 mA cm−2 in 1 m KOH, respectively, maintaining 98% stability after 300 h at a current density of 200 mA cm−2, surpassing most of the reported Ni‐based HER catalysts. This work provides atomic‐level insights into the electrocatalytic microenvironment engineering for water electrolysis.

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通过氧配位钨单原子调节硫化镍板界面水结构以促进碱性氢的析出

碱性析氢反应（HER）中Volmer步骤（水解离）动力学缓慢仍然是一个关键的瓶颈。本文提出了一种锚定在硫化镍（w10 /NiS）板上的氧配位钨单原子来动态调节界面水网络。结合实验和理论方法，揭示了原子水平的w10基序诱导局域电场，在内部亥姆霍兹平面（IHP）上提供丰富的自由水供应，并将界面水分子重新定向到“H - down”构型。这种结构转变降低了Volmer阶跃（H2O + e−→H* + OH−）从2.41 eV到1.02 eV的能垒，从而增强了碱性HER活性。结果表明，w10 /NiS催化剂在1 m KOH条件下，在10 mA cm - 2和1000 mA cm - 2条件下的过电位分别为76和236 mV，在200 mA cm - 2电流密度下，300 h后仍保持98%的稳定性，超过了目前报道的大多数Ni基HER催化剂。这项工作为电解水的电催化微环境工程提供了原子水平的见解。

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

Advanced Energy Materials CHEMISTRY, PHYSICAL-ENERGY & FUELS

CiteScore

41.90

自引率

4.00%

发文量

889

审稿时长

1.4 months

期刊介绍： Established in 2011, Advanced Energy Materials is an international, interdisciplinary, English-language journal that focuses on materials used in energy harvesting, conversion, and storage. It is regarded as a top-quality journal alongside Advanced Materials, Advanced Functional Materials, and Small. With a 2022 Impact Factor of 27.8, Advanced Energy Materials is considered a prime source for the best energy-related research. The journal covers a wide range of topics in energy-related research, including organic and inorganic photovoltaics, batteries and supercapacitors, fuel cells, hydrogen generation and storage, thermoelectrics, water splitting and photocatalysis, solar fuels and thermosolar power, magnetocalorics, and piezoelectronics. The readership of Advanced Energy Materials includes materials scientists, chemists, physicists, and engineers in both academia and industry. The journal is indexed in various databases and collections, such as Advanced Technologies & Aerospace Database, FIZ Karlsruhe, INSPEC (IET), Science Citation Index Expanded, Technology Collection, and Web of Science, among others.