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Nanoconfined superionic water is a molecular superionic
Samuel W Coles1,2, Amir Hajibabaei1,2, Venkat Kapil3,4
1Yusuf Hamied Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, UK.
Science Advances
|April 10, 2026
Summary
Nanoconfined water can be both molecular and superionic, exhibiting exceptional proton conductivity. This behavior is driven by a flexible hydrogen-bonded network and low proton transfer barriers, key for molecular superionics.
Area of Science:
- Materials Science
- Physical Chemistry
- Planetary Science
Background:
- Superionic ice involves dissociated water molecules, impacting planetary interiors and energy.
- A predicted nanoconfined superionic water state consists of intact molecules.
Purpose of the Study:
- Investigate how nanoconfined water achieves a molecular superionic state.
- Provide general insights into superionic behavior using advanced simulations.
Main Methods:
- Applied machine learning techniques.
- Utilized electronic structure simulations.
Main Results:
- Nanoconfined water exhibits superionic properties with intact molecules.
- Conduction occurs via chain-like proton migrations and defect propagation.
- Exceptional conductivity stems from the Grotthuss mechanism, facilitated by low proton transfer barriers and a flexible hydrogen-bonded network.
Conclusions:
- Nanoconfined molecular water can be superionic.
- Low proton transfer barriers and a flexible hydrogen-bonded network are crucial for fast ionic conduction in molecular superionics.
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