Interaction of H2O clusters with hydrogen-terminated and clean Si(011) surfaces

Kazuto Akagi, Masaru Tsukada

Research output: Contribution to journalArticlepeer-review

11 Citations (Scopus)

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 languageEnglish
Pages (from-to)397-400
Number of pages4
JournalThin Solid Films
Volume343-344
Issue number1-2
DOIs
Publication statusPublished - 1999 Jan 1
Externally publishedYes

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

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