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Steering elementary steps towards efficient alkaline hydrogen evolution via size-dependent Ni/NiO nanoscale
Lu Zhao1,2, Yun Zhang1,3, Zhonglong Zhao4
1Beijing National Laboratory for Molecular Sciences (BNLMS), CAS Key Laboratory of Molecular Nanostructure and Nanotechnology, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China.
National Science Review
|October 25, 2021
Summary
This study enhances alkaline hydrogen evolution reaction (HER) by creating balanced Ni/NiO nanocrystals. These catalysts synergistically boost both Volmer and Heyrovsky/Tafel steps for efficient hydrogen production.
Area of Science:
- Electrochemistry
- Materials Science
- Computational Chemistry
Background:
- Alkaline hydrogen evolution reaction (HER) is crucial for clean energy but suffers from sluggish kinetics due to water dissociation.
- Existing electrocatalysts struggle to synergistically promote both the Volmer and Heyrovsky/Tafel steps in alkaline HER.
- Understanding the interplay between different active sites for HER mechanism remains a challenge.
Purpose of the Study:
- To investigate the synergistic effects of Ni and NiO active sites for alkaline HER.
- To develop a strategy for controlling Ni/NiO heterosurfaces in nanocrystals.
- To optimize the Ni/NiO ratio for enhanced HER performance.
Main Methods:
- Density Functional Theory (DFT) calculations were used to predict the roles of NiO and Ni in HER kinetics.
- A facile synthesis strategy was employed to create uniform Ni/NiO nanocrystals with controlled heterosurfaces.
- Electrochemical measurements were performed to evaluate the HER activity of the synthesized catalysts.
Main Results:
- DFT calculations revealed NiO accelerates the Volmer step and Ni facilitates the Heyrovsky/Tafel step.
- Ni/NiO nanocrystals with a Ni/NiO ratio of 23.7% exhibited superior alkaline HER activity.
- The optimized catalyst outperformed other state-of-the-art electrocatalysts for alkaline HER.
Conclusions:
- Integrating bicomponent active sites (Ni and NiO) is an effective strategy to promote alkaline HER.
- Balancing the ratio of active sites is critical for achieving optimal synergistic effects.
- Controlled Ni/NiO heterosurfaces offer a promising pathway for developing advanced HER electrocatalysts.
