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Dissociative adsorption of methylsilane on the Si(100)-2 x 1 surface
Qu, YQ; Li, J; Han, KL
刊名JOURNAL OF PHYSICAL CHEMISTRY B
2004-09-30
DOI10.1021/jp0376018
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
关键词[WOS]CHEMICAL-VAPOR-DEPOSITION ; DENSITY-FUNCTIONAL THEORY ; SILICON-CARBIDE ; SEMICONDUCTOR SURFACES ; THIN-FILMS ; GROWTH ; DECOMPOSITION ; SILANE ; SI ; CVD
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.
语种英语
WOS记录号WOS:000224070200047
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被引频次:10[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/139542
专题中国科学院大连化学物理研究所
作者单位Chinese Acad Sci, Dalian Inst Chem Phys, Ctr Computat Chem, Dalian 116023, Peoples R China
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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.
APA Qu, YQ,Li, J,&Han, KL.(2004).Dissociative adsorption of methylsilane on the Si(100)-2 x 1 surface.JOURNAL OF PHYSICAL CHEMISTRY B,108(39),15103-15109.
MLA Qu, YQ,et al."Dissociative adsorption of methylsilane on the Si(100)-2 x 1 surface".JOURNAL OF PHYSICAL CHEMISTRY B 108.39(2004):15103-15109.
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