Adsorption and thermal behavior of ethylene on Si(100)-(2 × 1)

First-principles study of the adsorption ofC2H2andCho1, Kleinman2, Chan3 et al. 2001Phys. Rev. B51250View full textAdd to dashboardCite

“…This saturation coverage of 1 ML is consistent with the kinetic uptake measurements of Cheng et al 14 and Clemen et al 15 At low coverage the STM measurement of Mayne et al 8 found that the C 2 H 4 molecules ''prefer'' to adsorb on alternate dimer sites, creating either a local p(2ϫ2) structure or a c(4ϫ2) structure. Based on the above experimental observations, it is expected that for Ͻ c the adsorption of C 2 H 4 on neighboring Si dimers is avoided by some repulsive interaction between adsorbed molecules.…”

“…However, an ultraviolet photoemission spectroscopy study with the kinetic uptake method determined the saturation coverage to be ϭ1 ML. [14][15][16] In this work we study the adsorption of both C 2 H 2 and C 2 H 4 molecules on Si͑100͒ for coverages of ϭ0.5 and 1 ML, using the same first-principles calculation scheme. 17,18 Here the equilibrium geometries and energetics of the three existing models, i.e., dimerized, dimer-cleaved, and tetramodels, are considered.…”

Hydrocarbon surface chemistry on Si(100)

“…Assuming a 10 % defect density, the saturation coverage on non-defective Si(100) sites is near unity (0.8 ± 0.07), i.e., our measurements suggest that each Si 2 dimer site adsorbs a single HREELS measurements [28,29], and by thermodynamic arguments [14,15]. The conversion of chemisorbed hydrocarbon to surface carbon was also investigated using AES.…”

“…The ultrahigh vacuum (UHV) system (with a base pressure of 1 x 10-10 Torr) and the Si(100) crystal preparation have been described previously [12][13][14][15][16]; selected aspects will be summarized here. The system is equipped with an Auger electron spectrometer, an argon ion sputtering gun, a collimated and calibrated microcapillary array doser [21], and a multiplexed quadrupole mass spectrometer (QMS) with capabilities for both random flux and line-of-sight detection (22].…”

“…This indicates that the methyl group is an efficient source of surface carbon by thermal decomposition. This paper is a review of our investigations of the interaction of various hydrocarbon species with the Si(100) surface [12][13][14][15][16][17]. It is known that the reconstructed Si(100) surface consists of parallel rows of Si 2 dimers with one dangling bond on each surface Si atom.…”