ArticleScientific reports2017
Structures and thermodynamics of water encapsulated by graphene.
Article in Scientific reports, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
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Who cites it
14 citing papers in PubMed.
- Electrocatalytic Nitrate Reduction to Ammonia Synthesis: Reaction Mechanisms, Catalytic Materials, and Future Perspectives.Materials (Basel, Switzerland) · 2026Review
- How reactive is water at the nanoscale and how to control it?Science advances · 2026Article
- Nuclear quantum effects amplify autoionization-driven superionic behaviour in nanoconfined monolayer water.Chemical science · 2026Article
- Deep Eutectic Solvent Interaction with Graphene Oxide: A Combined Experimental and Molecular Dynamics Characterization.The journal of physical chemistry. B · 2025Article
- Solid-StateJournal of the American Chemical Society · 2025Article
- Multiscale Insights into Structure-Porosity Interplay and Water Adsorption in Granular Activated Carbon for Enhanced Electrochemical Water Treatment.ACS ES&T water · 2025Article
- Quasi-one-dimensional hydrogen bonding in nanoconfined ice.Nature communications · 2024Article
- Article
- Water adsorption and dynamics on graphene and other 2D materials: Computational and experimental advances.Advances in physics: X · 2022Article
- Dielectric ordering of water molecules arranged in a dipolar lattice.Nature communications · 2020Article
- A Simple Two Dimensional Model of Methanol.Journal of molecular liquids · 2018Article
- Dripplons as localized and superfast ripples of water confined between graphene sheets.Nature communications · 2018Article
- Tuneable pressure effects in graphene oxide layers.Scientific reports · 2017Article
- Van der Waals pressure and its effect on trapped interlayer molecules.Nature communications · 2016Article
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Authors and funding
3 authors.
Funding
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Abstract
Understanding phase behaviors of nanoconfined water has driven notable research interests recently. In this work, we examine water encapsulated under a graphene cover that offers an ideal testbed to explore its molecular structures and thermodynamics. We find layered water structures for up to ~1000 trapped water molecules, which is stabilized by the spatial confinement and pressure induced by interfacial adhesion. For monolayer encapsulations, we identify representative two-dimensional crystalline lattices as well as defects therein. Free energy analysis shows that the structural orders with low entropy are compensated by high formation energies due to the pressurized confinement. There exists an order-to-disorder transition for this condensed phase at ~480-490 K, with a sharp reduction in the number of hydrogen bonds and increase in the entropy. Fast diffusion of the encapsulated water demonstrates anomalous temperature dependence, indicating the solid-to-fluid nature of this structural transition. These findings offer fundamental understandings of the encapsulated water that can be used as a pressurized cell with trapped molecular species, and provide guidance for practical applications with its presence, for example, in the design of nanodevices and nanoconfined reactive cells.
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