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首页> 外文期刊>Journal of the American Chemical Society >Ultralong Polarization Chains Induced by Ions Solvated in Confined Water Monolayers
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Ultralong Polarization Chains Induced by Ions Solvated in Confined Water Monolayers

机译：约束水单层中溶解的离子诱导的超长极化链

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摘要

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 N_w ＜ 100 at temperatures of 200-300 K. We show that for certain "magic" N_w 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 "bracketed" crystal structure, they can generate long fluctuating chains of (N_w ＞ 30) polarized waters. The chains generated by opposite charged ions can eventually meet, lock, and stay polarized at room temperatures.
机译：我们通过经典的分子动力学模拟揭示了长极化链的形成，该极化链是由被限制在石墨烯片之间的水单层中溶解的离子诱导的。首先，我们研究了200-300 K温度下N_w ＜100的受限纯水团簇的动力学。我们表明，对于某些“魔术” N_w，团簇形成具有稳定结构的微晶，其中离散的水环按顺时针方向自组织或偶极子的逆时针方向。接下来，我们表明，当离子在具有“包围”晶体结构的较大簇中水合时，它们会产生（N_w＞ 30）极化水的长波动链。由相反的带电离子产生的链最终会在室温下相遇，锁定并保持极化。

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  • 来源
    《Journal of the American Chemical Society》 |2014年第4期|1170-1173|共4页
  • 作者

    Ishai Strauss; Henry Chan; Petr Kral;

  • 作者单位

    Department of Chemistry,University of Illinois at Chicago, Chicago, Illinois 60607, United States;

    Department of Chemistry,University of Illinois at Chicago, Chicago, Illinois 60607, United States;

    Department of Chemistry,University of Illinois at Chicago, Chicago, Illinois 60607, United States,Department of Physics, University of Illinois at Chicago, Chicago, Illinois 60607, United States;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);美国《化学文摘》(CA);
  • 原文格式 PDF
  • 正文语种 eng
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