Equilibrium structures of water molecules confined within a multiply connected carbon nanotube: a molecular dynamics study

Water confinement inside a carbon nanotube (CNT) has been one of the most exciting subjects of both experimental and theoretical interest. Most of the previous studies, however, considered CNT structures with simple cylindrical shapes. In this paper, we report a classical molecular dynamics study of...

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Veröffentlicht in:	arXiv.org 2020-01
Hauptverfasser:	Kim, Taehoon, Gwan Woo Kim, Jeong, Hyunah, Gunn, Kim, Jang, Soonmin
Format:	Artikel
Sprache:	eng
Schlagworte:	Boundary conditions Carbon Carbon nanotubes Chemical bonds Dynamic structural analysis Hydrogen bonding Hydrogen bonds Molecular dynamics Physics - Mesoscale and Nanoscale Physics Water chemistry Y junctions
Online-Zugang:	Volltext
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