期刊
JOURNAL OF PHYSICAL CHEMISTRY C
卷 113, 期 11, 页码 4618-4622出版社
AMER CHEMICAL SOC
DOI: 10.1021/jp810980v
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资金
- National Science Foundations of China [20573130, 20673137]
- Shanghai Municipal Committee of Science and Technology and Shanghai Supercomputer Center of China
Confinement can induce unusual behavior in the properties of matter. Using atomistic molecular dynamics simulations, we report here a liquid-to-solid transition of a bilayer of ionic liquid 1,3-dimethylimidazolium chloride ([Dmim][CI]) confined between graphite walls in order to mimic the phase transition of an ionic liquid confined to hydrophobic nanospace. It was found that the ionic liquid bilayer undergoes a clear and drastic phase transition at a wall distance of about 1.1 nm, forming a new high-melting-point solid phase with different hydrogen bonding networks. In the new phase, each cation is surrounded by the three nearest-neighbor anions, and each anion is also encircled by the three nearest-neighbor cations. Strong pi-pi stacking interactions are found between the cations of the bilayer solid. The anions can be formed into a hexagonal ring around the cations. The new bilayer solid is a high-melting-point crystal possessing a melting point of 825-850 K, which is higher than that of the bulk crystal by more than 400 K.
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