Anomalously immobilized water: A new water phase induced by confinement in nanotubes
Anomalously immobilized water: A new water phase induced by confinement in nanotubes
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DOI：
10.1021/nl0340226
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发表时间：
2003-05-01
期刊：
影响因子：
10.8
通讯作者：
Jakobsson, E
中科院分区：
文献类型：
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作者：
Mashl, RJ;Joseph, S;Jakobsson, E
禁闭可以导致物质性质的异常行为。使用分子动力学模拟，我们在这里表明，在环境条件下（1巴，300 K）的临界尺寸的碳纳米管限制水可以经历一个过渡到一个状态，具有类似于在液态水的氢键量的冰状流动性。这种行为的发生迅速，提高了限制在纳米管，甚至巴基球，可以提供一个环境，在其中的相变动力学可以直接通过模拟研究的可能性。此外，由于各种证据表明，水有序可以通过“质子线”氢键网络调节质子电导，用几何结构调节水有序的能力表明了可切换纳米级半导体的可能机制。
Confinement can induce unusual behavior in the properties of matter. Using molecular dynamics simulations, we show here that water confined to carbon nanotubes of a critical size under ambient conditions (1 bar, 300 K) can undergo a transition into a state having icelike mobility with an amount of hydrogen bonding similar to that in liquid water. The onset of this behavior occurs rapidly, raising the possibility that confinement inside nanotubes, and perhaps even buckyballs, can provide an environment in which the dynamics of phase changes may be studied directly by simulation. Moreover, because of a variety of evidence suggesting that water ordering may modulate proton conductance via a "proton wire" hydrogen bonding network, the ability to modulate water ordering with geometry suggests a possible mechanism for a switchable nanoscale semiconductor.