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Title: Mechanisms for Enhanced Hydrophobicity by Atomic-Scale Roughness.
Authors: Katasho, Yumi
Liang, Yunfeng
Murata, Sumihiko  kyouindb  KAKEN_id  orcid (unconfirmed)
Fukunaka, Yasuhiro
Matsuoka, Toshifumi
Takahashi, Satoru
Author's alias: 松岡, 俊文
Issue Date: 4-Sep-2015
Publisher: Nature Publishing Group
Journal title: Scientific reports
Volume: 5
Thesis number: 13790
Abstract: It is well known that the close-packed CF3-terminated solid surface is among the most hydrophobic surfaces in nature. Molecular dynamic simulations show that this hydrophobicity can be further enhanced by the atomic-scale roughness. Consequently, the hydrophobic gap width is enlarged to about 0.6 nm for roughened CF3-terminated solid surfaces. In contrast, the hydrophobic gap width does not increase too much for a rough CH3-terminated solid surface. We show that the CF3-terminated surface exists in a microscopic Cassie-Baxter state, whereas the CH3-terminated surface exists as a microscopic Wenzel state. This finding elucidates the underlying mechanism for the different widths of the observed hydrophobic gap. The cage structure of the water molecules (with integrated hydrogen bonds) around CH3 terminal assemblies on the solid surface provides an explanation for the mechanism by which the CH3-terminated surface is less hydrophobic than the CF3-terminated surface.
Rights: This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit
DOI(Published Version): 10.1038/srep13790
PubMed ID: 26337567
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