Ultralong Polarization Chains Induced by Ions Solvated in Confined Water Monolayers
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  • 作者:Ishai Strauss ; Henry Chan ; Petr Král
  • 刊名:Journal of the American Chemical Society
  • 出版年:2014
  • 出版时间:January 29, 2014
  • 年:2014
  • 卷:136
  • 期:4
  • 页码:1170-1173
  • 全文大小:368K
  • ISSN:1520-5126
文摘
We disclose by classical molecular dynamics simulations the formation of long polarization chains induced by ions solvated in a water monolayer confined between graphene sheets. First, we examine the dynamics of confined pure water clusters with Nw < 100 at temperatures of 200鈥?00 K. We show that for certain 鈥渕agic鈥?Nw the clusters form crystallites with stable structures, where discrete water rings are self-organized with clockwise or anticlockwise orientations of their dipoles. Next, we show that when ions are hydrated in larger clusters with a 鈥渂racketed鈥?crystal structure, they can generate long fluctuating chains of (Nw > 30) polarized waters. The chains generated by opposite charged ions can eventually meet, lock, and stay polarized at room temperatures.

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