水分子在 Si(100) 面上吸附位的确定

Ruiqin 张瑞勤; null 楚天舒; null 戴国才; null 吴汲安; null 邢益荣

水分子在 Si(100) 面上吸附位的确定

Translated title of the contribution: Determination of adsorption site of H2O on Si(100) surface

张瑞勤, 楚天舒, 戴国才, 吴汲安, 邢益荣

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

Abstract

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.

Translated title of the contribution	Determination of adsorption site of H2O on Si(100) surface
Original language	Chinese (Simplified)
Pages (from-to)	820-825
Journal	半导体学报
Volume	16
Issue number	11
Publication status	Published - Nov 1995
Externally published	Yes

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@article{a38c839026b044c4b5136e21494d7ad6,

title = "水分子在 Si(100) 面上吸附位的确定",

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．",

author = "张瑞勤 and 楚天舒 and 戴国才 and 吴汲安 and 邢益荣",

year = "1995",

month = nov,

language = "繁体中文",

volume = "16",

pages = "820--825",

journal = "半导体学报",

issn = "0253-4177",

publisher = "Kexue Chubaneshe/Science Press",

number = "11",

}

TY - JOUR

T1 - 水分子在 Si(100) 面上吸附位的确定

AU - 张瑞勤, null

AU - 楚天舒, null

AU - 戴国才, null

AU - 吴汲安, null

AU - 邢益荣, null

PY - 1995/11

Y1 - 1995/11

N2 - 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．

AB - 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．

UR - http://www.scopus.com/inward/record.url?scp=0029408267&partnerID=8YFLogxK

UR - https://www.scopus.com/record/pubmetrics.uri?eid=2-s2.0-0029408267&origin=recordpage

M3 - RGC 21 - Publication in refereed journal

SN - 0253-4177

VL - 16

SP - 820

EP - 825

JO - 半导体学报

JF - 半导体学报

IS - 11

ER -

水分子在 Si(100) 面上吸附位的确定

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