Adsorption and Reaction of Si2H5 on Clean and H-Covered Si(100)-(2 × 1) Surfaces: A Computational Study

A spin-polarized density functional theory calculation was carried out to characterize the adsorption and decomposition of Si2H5 radical on the clean and H-covered Si(100)-(2 × 1) surface. The adsorption structures and energies of Si2H5, Si2H4, SiH3, and SiH2 on the Si(100)-(2 × 1) surface were pred...

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Veröffentlicht in:	Journal of physical chemistry. C 2011-08, Vol.115 (31), p.15369-15374
Hauptverfasser:	Chen, Hsin-Tsung, Hwang, Chi-Chuan, Chiang, Hsing-Jung, Chang, Jee-Gong
Format:	Artikel
Sprache:	eng
Schlagworte:	C: Surfaces, Interfaces, Catalysis
Online-Zugang:	Volltext
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