水分子在 Si(100) 面上吸附位的确定

Determination of adsorption site of H2O on Si(100) surface

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

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Author(s)

  • 张瑞勤
  • 楚天舒
  • 戴国才
  • 吴汲安
  • 邢益荣

Detail(s)

Original languageChinese (Simplified)
Pages (from-to)820-825
Journal / Publication半导体学报
Volume16
Issue number11
Publication statusPublished - Nov 1995
Externally publishedYes

Link(s)

Check@CityULib
Link to Scopus https://www.scopus.com/record/display.uri?eid=2-s2.0-0029408267&origin=recordpage
Permanent Link https://scholars.cityu.edu.hk/en/publications/publication(a38c8390-26b0-44c4-b513-6e21494d7ad6).html

Abstract

本文用 Si66H50 原子集团模拟 Si(100) 表面，采用 CNDO 分子轨道理论方法计算了 H2O 在其上吸附的势能面．确定出 H2O 在 Si(100) 表面的最佳吸附位为洞位．在桥位 Ⅰ、桥位 Ⅱ 和顶位上吸附时势能依次升高．
Potential contour map of cluster Si66H50-H2O simulating H2O adsorbed on Si(100) has been calculated by using semiempirical CNDO method. The results suggest that the best adsorption site is cave position, and the adsorption probability of bridge I position, bridge II position and top position reduces in turn.

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Publication fingerprints text

100
Surface Material Science
100
Adsorption Material Science
100
Adsorption Sites Keyphrases
100
Si(100) Surface Keyphrases
100
surfaces INIS
100
adsorption INIS
66
bridges INIS
66
Bridges Engineering
50
Si(111) Keyphrases
50
Contour Map Keyphrases
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Citation Format(s)

[ RIS ] [ BibTeX ]
水分子在 Si(100) 面上吸附位的确定. / 张瑞勤; 楚天舒; 戴国才 et al.
In: 半导体学报, Vol. 16, No. 11, 11.1995, p. 820-825.

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review