Temperature-dependent wettability on a titanium dioxide surface

Park, Jae Hyun and Aluru, NR. (2009) Temperature-dependent wettability on a titanium dioxide surface. Molecular Simulation, 35 (1). p. 31. ISSN 08927022

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Controlling surface wettability, expressed in terms of contact angle, is a significant issue in nanotechnology. In this paper, through extensive molecular dynamics simulations, we show that the contact angle of water droplet on a TiO2 surface is considerably influenced by the temperature variations, i.e. as the temperature increases, the contact angle decreases and the surface becomes more hydrophilic. We address the issue of accurate force fields and determine the partial charges that can closely reproduce the experimental contact angle. Detailed understanding of the temperature-dependent variation of contact angle is developed by hydrogen bonding analysis.

Item Type: Article
Uncontrolled Keywords: wettability; contact angle; TiO2 surface; force field; molecular dynamics simulation
InterNano Taxonomy: Nanomanufacturing Processes > Etching > Wet etching
Nanoscale Objects and Nanostructured Materials > Nanotubes > Carbon nanotubes
Collections: Nanomanufacturing Research Collection
Depositing User: Danielle Federa
Date Deposited: 17 Jun 2009 15:00
Last Modified: 17 Jun 2009 15:00
URI: http://eprints.internano.org/id/eprint/132

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