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Rendering SiO2/Si Surfaces Omniphobic by Carving Gas-Entrapping Microtextures Comprising Reentrant and Doubly Reentrant Cavities or Pillars

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Mechanisms for Enhanced Hydrophobicity by Atomic-Scale Roughness.

Yumi Katasho¹, Yunfeng Liang¹, Sumihiko Murata¹

¹Environment and Resource System Engineering, Kyoto University, Kyoto 615-8540, Japan.

Scientific Reports

|September 5, 2015

Summary

Roughened CF3 surfaces exhibit enhanced hydrophobicity due to a microscopic Cassie-Baxter state, widening the hydrophobic gap. CH3 surfaces show less hydrophobicity, existing in a Wenzel state with limited gap increase.

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Area of Science:

Surface Science
Materials Chemistry
Computational Physics

Background:

Hydrophobic surfaces are crucial in various applications, with CF3-terminated surfaces known for their high hydrophobicity.
Surface roughness is a key factor influencing the hydrophobic properties of materials.

Purpose of the Study:

To investigate the effect of atomic-scale roughness on the hydrophobicity of CF3- and CH3-terminated surfaces.
To elucidate the underlying mechanisms responsible for the differences in hydrophobic gap width between these surfaces.

Main Methods:

Utilized molecular dynamic simulations to model and analyze the behavior of water molecules at roughened CF3- and CH3-terminated surfaces.
Characterized the microscopic states (Cassie-Baxter vs. Wenzel) adopted by water on these surfaces.

Main Results:

Atomic-scale roughness significantly enhances hydrophobicity on CF3-terminated surfaces, increasing the hydrophobic gap width to approximately 0.6 nm.
Roughened CH3-terminated surfaces show a less pronounced increase in hydrophobic gap width.
CF3-terminated surfaces adopt a microscopic Cassie-Baxter state, while CH3-terminated surfaces exhibit a microscopic Wenzel state.

Conclusions:

The distinct microscopic states (Cassie-Baxter for CF3, Wenzel for CH3) explain the differing hydrophobic gap widths.
Water molecule cage structure and hydrogen bonding around CH3 assemblies contribute to its lower hydrophobicity compared to CF3 surfaces.