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- W2044409982 abstract "Liquid-solid and solid-solid phase transitions of a monolayer water confined between two parallel hydrophobic surfaces are studied by molecular dynamics simulations. The solid phase considered is the high-density rhombic monolayer ice. Based on the computed free energy surface, it is found that at a certain width of the slit nanopore, the monolayer water exhibits not only a high freezing point but also a low energy barrier to crystallization. Moreover, through analyzing the oxygen-hydrogen-oxygen angle distribution and oxygen-hydrogen radial distribution, the high-density monolayer ice is classified as either a flat ice or a puckered ice. The transition between a flat ice and a puckered ice reflects a trade-off between the water-wall interactions and the electrostatic interactions among water molecules." @default.
- W2044409982 created "2016-06-24" @default.
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- W2044409982 date "2014-05-12" @default.
- W2044409982 modified "2023-10-03" @default.
- W2044409982 title "Liquid-solid and solid-solid phase transition of monolayer water: High-density rhombic monolayer ice" @default.
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- W2044409982 doi "https://doi.org/10.1063/1.4874696" @default.
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