Water on titanium dioxide surface : a revisiting by reactive molecular dynamics simulations

The behavior of surface water, especially the adsorption and dissociation characteristics, is a key to understanding and promoting photocatalytic and biomedical applications of titanium dioxide materials. Using molecular dynamics simulations with the ReaxFF force field, we study the interactions bet...

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Bibliographische Detailangaben

Veröffentlicht in:	Langmuir : the ACS journal of surfaces and colloids. - 1992. - 30(2014), 49 vom: 16. Dez., Seite 14832-40
1. Verfasser:	Huang, Liangliang (VerfasserIn)
Weitere Verfasser:	Gubbins, Keith E, Li, Licheng, Lu, Xiaohua
Format:	Online-Aufsatz
Sprache:	English
Veröffentlicht:	2014
Zugriff auf das übergeordnete Werk:	Langmuir : the ACS journal of surfaces and colloids
Schlagworte:	Journal Article Research Support, Non-U.S. Gov't Research Support, U.S. Gov't, Non-P.H.S. Water 059QF0KO0R titanium dioxide 15FIX9V2JP Titanium D1JT611TNE