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

Kazuto Akagi, Masaru Tsukada

研究成果: Article査読

11 被引用数 (Scopus)

抄録

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.

本文言語English
ページ(範囲)397-400
ページ数4
ジャーナルThin Solid Films
343-344
1-2
DOI
出版ステータスPublished - 1999
外部発表はい

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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