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题名: Dissociative adsorption of methylsilane on the Si(100)-2 x 1 surface
作者: Qu, YQ;  Li, J;  Han, KL
刊名: JOURNAL OF PHYSICAL CHEMISTRY B
发表日期: 2004-09-30
DOI: 10.1021/jp0376018
卷: 108, 期:39, 页:15103-15109
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Physical
研究领域[WOS]: Chemistry
英文摘要: Density functional theory calculations have been used to investigate the mechanisms of dissociative adsorption of methylsilane (CH3SiH3) on the Si(100)-2 x 1 surface. Three different reaction pathways via Si-H, C-H, and Si-C dissociation are used to describe the formation of -SiH2CH3, -CH2SiH3, -CH3, -SiH3, and -H fragments adsorbed on the dimer dangling bonds. The geometry, energetics, and vibration properties of the critical points along the potential energy surface using the Si9H12 one-dimer and Si15H16 two-dimer cluster models are investigated. Our results indicate that the product of Si-H dissociation is the dominating dissociative product. The results also show that methylsilane is a good candidate for the growth of SiC films.
关键词[WOS]: CHEMICAL-VAPOR-DEPOSITION ;  DENSITY-FUNCTIONAL THEORY ;  SILICON-CARBIDE ;  SEMICONDUCTOR SURFACES ;  THIN-FILMS ;  GROWTH ;  DECOMPOSITION ;  SILANE ;  SI ;  CVD
语种: 英语
WOS记录号: WOS:000224070200047
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/139542
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Chinese Acad Sci, Dalian Inst Chem Phys, Ctr Computat Chem, Dalian 116023, Peoples R China

Recommended Citation:
Qu, YQ,Li, J,Han, KL. Dissociative adsorption of methylsilane on the Si(100)-2 x 1 surface[J]. JOURNAL OF PHYSICAL CHEMISTRY B,2004,108(39):15103-15109.
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