Faster proton transfer dynamics of water on SnO2 compared to TiO2

Proton jump processes in the hydration layer on the iso-structural TiO(2) rutile (110) and SnO(2) cassiterite (110) surfaces were studied with density functional theory molecular dynamics. We find that the proton jump rate is more than three times faster on cassiterite compared with rutile. A local...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:The Journal of chemical physics 2011-01, Vol.134 (4), p.044706-044706
Hauptverfasser: Kumar, Nitin, Kent, Paul R C, Bandura, Andrei V, Kubicki, James D, Wesolowski, David J, Cole, David R, Sofo, Jorge O
Format: Artikel
Sprache:eng
Schlagworte:
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!