Helical ice-sheets inside carbon nanotubes in the physiological condition
Helical ice-sheets inside carbon nanotubes in the physiological condition
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DOI：
10.1016/s0009-2614(02)00209-9
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发表时间：
2002-04-08
影响因子：
2.8
通讯作者：
Ma, JP
中科院分区：
文献类型：
--
作者：
Noon, WH;Ausman, KD;Ma, JP
分子动力学模拟进行，在生理条件下（300 K和1大气压），在不同直径的纳米管段浸没在水中。结果表明，水分子可以存在于纳米管段内部，最重要的是，管内的水分子倾向于将自己组织成高度氢键结合的网络，即，像固体一样包裹着的冰盖。这些冰盖的无序到有序的转变可以完全通过调整管的大小来实现。结果还表明，纳米管有潜力被用作质子传导孔的各种生物应用。(C)2002 Elsevier Science B.V.保留所有权利。
Molecular dynamics simulations were performed, in the physiological condition (300 K and 1 atm), on nanotube segments of various diameters submerged in water. The results show that water molecules can exist inside the nanotube segments, and, most importantly, the water molecules inside the tubes tend to organize themselves into a highly hydrogen-bonded network, i.e., solid-like wrapped-around ice sheets. The disorder-to-order transition of these ice-sheets can be achieved purely by tuning the size of the tubes. The results also suggest that the nanotubes have the potential to be used as proton-conducting pores for a variety of biological applications. (C) 2002 Elsevier Science B.V. All rights reserved.