Citation: Na Li, Zhihui Shang, Enyan Guo, Qifang Lu, Mingzhi Wei, Xue-Yang Ji, Xinghui Liu. Identifying dynamic active sites in Ni_xCo_1-_xMoO₄ nanotubes for enhanced electrocatalytic hydrogen evolution reaction[J]. Chinese Chemical Letters, ;2026, 37(8): 111908. doi: 10.1016/j.cclet.2025.111908 shu

Identifying dynamic active sites in Ni_xCo_1-_xMoO₄ nanotubes for enhanced electrocatalytic hydrogen evolution reaction

Na Li ^a ,
Zhihui Shang ^a ,
Enyan Guo ^a ,
Qifang Lu ^{a, *,} ,
Mingzhi Wei ^a ,
Xue-Yang Ji ^{b, *,} ,
Xinghui Liu ^{c, d, *,}

a.
Shandong Provincial Key Laboratory of Processing and Testing Technology of Glass & Functional Ceramics, School of Materials Science and Engineering, Qilu University of Technology (Shandong Academy of Sciences), Ji'nan 250353, China
b.
School of Materials Science and Engineering, Shandong Provincial Key Laboratory of Chemical Energy Storage and Novel Cell Technology, Liaocheng University, Liaocheng 252000, China
c.
Hubei Provincial Key Laboratory of Artificial Quantum Two-Dimensional Materials, Hubei University of Technology, Wuhan 430068, China
d.
National Key Laboratory of Aerospace Chemical Power, Hubei Institute of Aerospace Chemotechnology, Xiangyang 441003, China

luqf0110@126.com

jixy0422@126.com

liuxinghui119@gmail.com

Received Date: 11 August 2025
Revised Date: 18 September 2025
Accepted Date: 27 September 2025
Available Online: 28 September 2025

Figures(6)

The rational design of high-performance electrocatalysts for hydrogen evolution reaction (HER) through real-time tracking of dynamic active site evolution is both challenging and essential for the progress of sustainable energy technologies. Herein, Ni_xCo_1-_xMoO₄ solid solution nanotubes have been synthesized via electrospinning followed by calcination for electrocatalytic HER in a 1.0 mol/L KOH electrolyte. Optimized Ni_0.25Co_0.75MoO₄ (denoted as NCMO-1) demonstrates high specific surface area, enhances charge transfer kinetics, and improves HER activity, achieving a low overpotential of 123 mV at 10 mA/cm². Based on the inherent structural stability, the surface reconstruction relies on the reaction potential and the pH electrolyte via integrated approach, which involves hydroxide ion can etch the Mo species into the electrolyte accompanied by collapse and transformation from MO₆ polyhedrons to amorphous cobalt-nickel hydroxides (M(OH)_x (M = Co and Ni) with the electron transfer from Co to Ni sites via the oxygen-bridged cobalt-nickel bond (Co-O-Ni). Meanwhile, the dissolution of Mo enhances the hydroxylation at Co/Ni sites by revealing additional defect sites, while the formation of Co(OH)_x and Ni(OH)_x alters the local electronic environment. Due to the amorphous nature and structural complexity of the reconstructed sites, theoretical calculations indicate that the interaction between Co and Ni sites in NCMO-1 enhances charge transfer, strengthens adsorption, and accelerates the conversion of hydrogen and the key intermediate (^*H···OH). This study provides fundamental insights into surface reconstruction behavior through the strategic integration of multi-scale in-situ characterization techniques and offers guidance for the rational design of advanced HER electrocatalysts.
- Solid solution nanotubes,
- Electrocatalytic,
- Hydrogen evolution reaction,
- Active sites
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通讯作者: 陈斌, bchen63@163.com

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沈阳化工大学材料科学与工程学院沈阳 110142

Identifying dynamic active sites in NixCo1-xMoO4 nanotubes for enhanced electrocatalytic hydrogen evolution reaction

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通讯作者: 陈斌, bchen63@163.com

Identifying dynamic active sites in Ni_xCo_1-_xMoO₄ nanotubes for enhanced electrocatalytic hydrogen evolution reaction