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Updated: Jun 18, 2026

Synthesis of Metal Nanoparticles Supported on Carbon Nanotube with Doped Co and N Atoms and its Catalytic Applications in Hydrogen Production
Published on: December 6, 2021
Single-atom cocatalysts engineer proton microenvironments for efficient alkaline hydrogen evolution
Guang Yang1,2, Minghao Yang1,2, Zeshuo Meng1,2
1School of Nano Technology and Nano Bionics, University of Science and Technology of China Hefei 230026 China ycui2015@sinano.ac.cn.
Single-atom catalysts are redefined as cocatalytic regulators, not active sites. This new approach optimizes the hydrogen evolution reaction (HER) by creating favorable microenvironments, significantly boosting catalyst performance.
Area of Science:
- Catalysis
- Materials Science
- Electrochemistry
Background:
- Single-atom catalysts (SACs) are typically the primary active sites in catalytic reactions.
- A new paradigm views single-atom sites as regulators that control reaction environments.
Purpose of the Study:
- To investigate single atoms as cocatalytic regulators for alkaline hydrogen evolution reaction (HER).
- To explore how single-atom cocatalysts modulate the microenvironment of active sites.
Main Methods:
- Density Functional Theory (DFT) calculations to study the effect of Mo, W, and Cr single-atom cocatalysts on Ru sites.
- Synthesis of Mo-Ru@CNT and characterization of its electrocatalytic performance.
- Multi-scale characterization to understand the role of single-atom cocatalysts.
Main Results:
- Mo, W, and Cr single-atom cocatalysts significantly optimize the hydrogen adsorption free energy (ΔGH*) on neighboring Ru sites.
- Synthesized Mo-Ru@CNT exhibits near-zero overpotential and excellent HER performance, outperforming Ru@CNT.
- Single-atom cocatalysts create *in situ* Brønsted acidic sites, forming a proton-enriched interfacial microenvironment.
Conclusions:
- Redefines single-atom materials from active centers to cocatalytic regulators.
- Opens new design strategies for electrocatalysts in complex reactions.
- Highlights the importance of microenvironment engineering in catalysis.
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