title: Effect of nanostructure on the properties of water at the water-hydrophobic interface: a molecular dynamics simulation.
abstract: The local structure of water near hydrophobic surfaces of different surface topographies has been analyzed by molecular dynamics simulation. An alkane crystal has been taken as the parent model for a hydrophobic surface. Surface structures were created by placing pits into it, which were half a nanometer deep and several nanometers wide. Around all structures, the water has a lower density, less orientational ordering, fewer water-water hydrogen bonds, and fewer surface contacts than for a flat unstructured surface. This indicates that the structured surfaces are more hydrophobic than the flat surface. Of the structures investigated, pits with a diameter of approximately 2.5 nm were effective in increasing the hydrophobic character of the surface.
authors.affiliation: International University Bremen, P.O. Box 750561, D-28725 Bremen, Germany.
authors.forename: Sandeep
authors.initials: S
authors.lastname: Pal
authors.forename: Horst
authors.initials: H
authors.lastname: Weiss
authors.forename: Harald
authors.initials: H
authors.lastname: Keller
authors.forename: Florian
authors.initials: F
authors.lastname: Müller-Plathe