Molecular Dynamics Simulation of First-Adsorbed Water Layer at Titanium Dioxide Surfaces

2018 ◽  
Vol 63 (7) ◽  
pp. 2420-2429 ◽  
Author(s):  
Guobing Zhou ◽  
Chang Liu ◽  
Liangliang Huang
Keyword(s):  
Molecular Dynamics ◽  
Titanium Dioxide ◽  
Molecular Dynamics Simulation ◽  
Water Layer ◽  
Adsorbed Water ◽  
Dynamics Simulation

scholarly journals Structure and properties of the low-energy deposited TiO2 thin films: results of the molecular dynamics simulation

2021 ◽  
Vol 2015 (1) ◽  
pp. 012051
Author(s):  
F.V. Grigoriev ◽  
V.B. Sulimov ◽  
A.V. Tikhonravov
Keyword(s):  
Molecular Dynamics ◽  
Titanium Dioxide ◽  
Molecular Dynamics Simulation ◽  
High Energy ◽  
Film Structure ◽  
Low Energy ◽  
Dynamics Simulation ◽  
Tio2 Thin Films ◽  
Titanium Dioxide Films ◽  
The Difference

Abstract The classical molecular dynamics simulation of the low-energy glancing angle deposition of titanium dioxide films is performed. The deposition angle varies from 60° to 80°. It is found that the film structure consists of parallel slanted columns which lead to the anisotropy of films properties. The difference between the main components of the refractive index tensor is about 0.14, which is close to the values obtained for high-energy titanium dioxide films and larger than 0.03 obtained earlier for silicon dioxide films.

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