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Copper-hydroxyl interactions drive water-promoted copper surface oxidation and mobility
Shuang Li1, Zhongliang Cao1, Haolong Chang1
1Institute of Molecular Plus, School of Chemical Engineering and Technology, Tianjin University, Tianjin, China.
Nature Communications
|March 24, 2026
Summary
Water (H2O) accelerates copper oxidation by creating a disordered interface that facilitates oxygen incorporation. Pure oxygen (O2) oxidation results in a more ordered interface, hindering further oxidation.
Area of Science:
- Materials Science
- Surface Chemistry
- Catalysis
Background:
- Metal oxidation by oxygen (O2) and water (H2O) is crucial for catalysis and corrosion.
- Differentiating O2 and H2O roles is difficult due to shared intermediates like hydroxyl (OH).
Purpose of the Study:
- To investigate the promotional role of H2O in copper (Cu) surface oxidation.
- To elucidate the mechanisms behind water-assisted metal oxidation.
Main Methods:
- In-situ transmission electron microscopy (TEM).
- ReaxFF reactive force field molecular dynamics (MD) simulations.
Main Results:
- Water dissociation yields hydroxyl (OH) that adsorbs preferentially at disordered Cu/CuOx interfaces.
- Strong Cu-OH interactions induce dynamic disorder and electronic changes, promoting oxygen incorporation and Cu mobility.
- Pure O2 oxidation leads to ordered interfaces, suppressing further oxidation.
Conclusions:
- Hydroxyl-mediated interfacial dynamics are key drivers of water-assisted metal oxidation.
- Findings offer guidance for controlling oxidation in materials for catalysis and corrosion resistance.
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