Surface wettability of various phases of titania thin films: Atomic-scale simulation studies
In the paper, the wettability of different phases of TiO 2 thin films (anatase, brookite, and
rutile) have been studied using molecular-dynamics simulation. The principle of micro-
wetting is discussed. The simulation results show that the contact angle decreases upon
increasing the interaction energy between the water and the titanium dioxide interface
during the wetting process. The values of contact angles from large to small are: rutile,
brookite and anatase. The calculated equilibrium contact angles are 73.9°, 59.2°, and 43.7° …
rutile) have been studied using molecular-dynamics simulation. The principle of micro-
wetting is discussed. The simulation results show that the contact angle decreases upon
increasing the interaction energy between the water and the titanium dioxide interface
during the wetting process. The values of contact angles from large to small are: rutile,
brookite and anatase. The calculated equilibrium contact angles are 73.9°, 59.2°, and 43.7° …
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