Abstract
We performed the LDA first-principles calculations to reveal the water clusters adsorbed on hydrogenated and clean Si(011) surfaces. In particular the 'wetting' feature is investigated microscopicically. A remarkable finding is the cooperative phenomena of complex water molecules. According to our results, the adsorption energy of water molecules on a hydrogenated surface is small on whole parts of the surface, and it shows the well-known hydrophobic character. On the other hand, there are locally strong adsorption sites on a clean surface, and a water cluster is pinned at such sites. An additional water molecule connected via a hydrogen bond significantly enhances the adsorption energy at such a strong adsorption site.
Original language | English |
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Pages (from-to) | 397-400 |
Number of pages | 4 |
Journal | Thin Solid Films |
Volume | 343-344 |
Issue number | 1-2 |
DOIs | |
Publication status | Published - 1999 Jan 1 |
Externally published | Yes |
Keywords
- Chemisorption
- Density functional calculations
- Silicon
- Solid-liquid interfaces
- Surface chemical reaction
- Water
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Surfaces and Interfaces
- Surfaces, Coatings and Films
- Metals and Alloys
- Materials Chemistry