Dynamics and vibrational spectroscopy of quasi-one dimensional water wires inside carbon nanotubes of different diameter and chirality.

ABSTRACT: Water strongly confined in nanostructures such as carbon nanotubes (CNTs) exhibits structural, dielectric, transport, dynamical and thermodynamical properties vastly different from bulk water, due to a strong modification of the (three-dimensional) hydrogen bond network. In this work, we mainly address the following aspects of extremely confined, quasi-one dimensional water chains in CNTs which have have not been emphasized much so far: The effect of chirality of the CNT, strong interactions with the hydrophobic walls and the (altered) vibrational response of confined water. Specifically, we have studied the (i) translation / diffusion, (ii) rotation / reorientation and (iii) vibrations of water chains confined within narrow carbon nanotubes (CNTs) with chirality indices (6,2), (6,4) and (

SUBMITTER: Ojha D 

PROVIDER: S-EPMC12317096 | biostudies-literature | 2025 Aug

REPOSITORIES: biostudies-literature