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Dissociative adsorption of methylsilane on the Si(100)-2 x 1 surface
Qu, YQ; Li, J; Han, KL
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY B
2004-09-30
DOI10.1021/jp0376018
Volume108Issue:39Pages:15103-15109
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectChemistry, Physical
WOS Research AreaChemistry
WOS KeywordCHEMICAL-VAPOR-DEPOSITION ; DENSITY-FUNCTIONAL THEORY ; SILICON-CARBIDE ; SEMICONDUCTOR SURFACES ; THIN-FILMS ; GROWTH ; DECOMPOSITION ; SILANE ; SI ; CVD
AbstractDensity 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.
Language英语
WOS IDWOS:000224070200047
Citation statistics
Cited Times:11[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/139542
Collection中国科学院大连化学物理研究所
AffiliationChinese Acad Sci, Dalian Inst Chem Phys, Ctr Computat Chem, Dalian 116023, Peoples R China
Recommended Citation
GB/T 7714
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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