Abstract
Molecular dynamics (MD) simulations are performed to explore the layering structure and liquidliquid transition of liquid water confined between two graphene sheets with a varied distance at different pressures. Both the size of nanoslit and pressure could cause the layering and liquidliquid transition of the confined water. With increase of pressure and the nanoslits size, the confined water could have a more obvious layering. In addition, the neighboring water molecules firstly form chain structure, then will transform into square structure, and finally become triangle with increase of pressure. These results throw light on layering and liquidliquid transition of water confined between two graphene sheets.
| Original language | English |
|---|---|
| Article number | 106401 |
| Journal | Chinese Physics B |
| Volume | 26 |
| Issue number | 10 |
| DOIs | |
| State | Published - Oct 2017 |
| Externally published | Yes |
Keywords
- confined water
- layering
- liquid-liquid transition
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