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...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2020-01, Vol.22 (1), p.252-257
Hauptverfasser:	Kim, Taehoon, Kim, Gwan Woo, Jeong, Hyunah, Kim, Gunn, Jang, Soonmin
Format:	Artikel
Sprache:	eng
Schlagworte:	Boundary conditions Carbon Carbon nanotubes Chemical bonds Dynamic structural analysis Hydrogen bonding Hydrogen bonds Molecular dynamics Water chemistry Y junctions
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!