Unsaturated cyclic-hydrocarbon molecules on a Si(0 0 1) surface: A first-principles approach

Kazuto Akagi, Shinji Tsuneyuki

研究成果: Article査読

17 被引用数 (Scopus)

抄録

Chemisorption of unsaturated cyclic-hydrocarbon molecules C6H10, C6H8 and C5H8 on Si(0 0 1) clean surface was investigated based on first-principles calculations, and the adsorption structures were discussed in comparison with the experimental data. As for C6H10, two kinds of stable conformation were determined, which are consistent with two types of characteristic STM images and spectroscopic data. On the other hand, we also found two kinds of adsorption structures for C6H8 molecules, but the structure supported by STM and UPS observations is slightly unstable compared with the other one, and the situation is still mysterious.

本文言語English
ページ(範囲)131-137
ページ数7
ジャーナルSurface Science
493
1-3
DOI
出版ステータスPublished - 2001 11 1
外部発表はい

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Surfaces and Interfaces
  • Surfaces, Coatings and Films
  • Materials Chemistry

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