Wettability of graphene oxide functionalized with N -alkylamines: a molecular dynamics study

The wettability of graphene oxide functionalized with -alkylamines was studied by molecular dynamics simulations. Six different -alkylamines and two functionalization degrees were reviewed. The nucleophilic ring-opening reaction mechanism between the -alkylamines and epoxy functional groups of graph...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2022-05, Vol.24 (18), p.11412-11419
Hauptverfasser:	Muñoz-Rugeles, Leonardo, Arenas-Blanco, Brayan Alberto, Del Campo, Jorge M, Mejía-Ospino, Enrique
Format:	Artikel
Sprache:	eng
Schlagworte:	Alkylamines Chains Contact angle Functional groups Graphene Molecular dynamics Reaction mechanisms Ring opening Substitution reactions Surface roughness Wettability
Online-Zugang:	Volltext
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