Mechanism of H 2 desorption from H-terminated Si(001) surfaces

T. Watanabe*, T. Hoshino, I. Ohdomari

*この研究の対応する著者

研究成果: Article査読

6 被引用数 (Scopus)

抄録

Semiempirical molecular orbital calculations were performed to investigate the mechanism of H 2 desorption from dihydride species on Si(001) surfaces. The lowest energy pathways were calculated with respect to three different mechanisms which have been proposed previously. We performed additional calculations under the different H coverage conditions to examine the dependence of activation energy on the varieties of surrounding hydride species. The new transition state structure was obtained by the calculation of the recombinative desorption of two H atoms from adjacent Si dihydrides. We have found that the activation barrier of the recombinative desorption mechanism was the lowest of all and it was hardly influenced no matter what the surrounding hydride species is.

本文言語English
ページ(範囲)67-71
ページ数5
ジャーナルApplied Surface Science
117-118
DOI
出版ステータスPublished - 1997 6月 2

ASJC Scopus subject areas

  • 化学 (全般)
  • 凝縮系物理学
  • 物理学および天文学(全般)
  • 表面および界面
  • 表面、皮膜および薄膜

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