Hydrogen Bond Dynamics and Phase Transitions of Water inside Carbon Nanotubes

Hydrogen Bond Dynamics and Phase Transitions of Water inside Carbon Nanotubes

Water dynamics in nanochannels are altered by confinement, particularly in small carbon nanotubes (CNTs). However, the mechanisms behind these effects remain unclear. To address these issues, we carried out extensive molecular dynamics (MD) simulations to investigate the structure and dynamics of wa...

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Bibliographic Details
Main Authors: Amit Srivastava, Jamal Hassan, Dirar Homouz
Format: Article
Language:English
Published: MDPI AG 2023-01-01
Series:Nanomaterials
Subjects:
carbon nanotubes
water
hydrogen bond dynamics
molecular dynamics simulation
Online Access:https://www.mdpi.com/2079-4991/13/2/284

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