Ice-like water structure in carbon nanotube (8,8) induces cationic hydration enhancement

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He, Zhongjin
Zhou, Jian
Lu, Xiaohua
Corry, Ben

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American Chemical Society

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It is well recognized that ice-like water can be formed in carbon nanotubes (CNTs). Here, we perform molecular dynamics simulations of the hydration of Na+, K+ and Cl- in armchair CNT(n,n) (n = 6, 7, 8, 9 and 10) at 300 K to elucidate the effect of such w

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Journal of Physical Chemistry C

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2037-12-31