Revisiting the droplet simulation approach to derive force-field parameters for water on molybdenum disulfide from wetting angle measurements

Owing to its peculiar electronic properties, molybdenum disulfide (MoS2) has been the subject of a growing number of studies in the recent years. In applications, this material and other transition metal dichalcogenides (TMDs) may have to interact with a liquid or polymer phase as well as solutions...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	The Journal of chemical physics 2016-10, Vol.145 (16), p.164705-164705
1. Verfasser:	Leroy, Frédéric
Format:	Artikel
Sprache:	eng
Schlagworte:	Basal plane Bilayers Biomolecules Computer simulation Droplets Graphite Interaction parameters Molecular dynamics Molybdenum Molybdenum disulfide Monolayers Transition metal compounds Wetting
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!