Dissociation and pyrolysis of Si2H6 on Si surfaces: The influence of surface structure and adlayer composition

Xia, Li-Qun; Jones, Mark; Maity, N.; Engstrom, J. R.

doi:10.1063/1.469739

Cited by 44 publications

(27 citation statements)

References 62 publications

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“…(2) a reaction forming one adsorbed Si atom and gas-phase hydrogen and SiH 4 (from a chemisorbed intermediate) [510]. The relative prominence of these two channels was found to be sensitive to the structure of the surface: only complete pyrolysis was observed on the clean Si(100)-(2x1) and Si(111)-(1x1) surfaces, whereas silane production was also detected on the surface as a function of incident kinetic energy suggested a similar decomposition mechanism for the two molecules, namely, Si-H bond activation; SiH 4 (g) was proposed to be formed via unimolecular thermal decomposition of an adsorbed Si 2 H 5 (ads) species [510].…”

Section: CI Silicon Surfacesmentioning

confidence: 99%

Use of molecular beams for kinetic measurements of chemical reactions on solid surfaces

Zaera

2017

Surface Science Reports

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In this review we survey the contributions that molecular beam experiments have provided to our understanding of the dynamics and kinetics of chemical interactions of gas molecules with solid surfaces. First, we describe the experimental details of the different instrumental setups and approaches available for the study of these systems under the ultrahigh vacuum conditions and with the model planar surfaces often used in modern surface-science experiments. Next, a discussion is provided of the most important fundamental aspects of the dynamics of chemical adsorption that have been elucidated with the help of molecular beam experiments, which include the development of potential energy surfaces, the determination of the different channels for energy exchange between the incoming molecules and the surface, the identification of adsorption precursor states, the understanding of dissociative chemisorption, the determination of the contributions of corrugation, steps, and other structural details of the surface to the adsorption process, the effect to molecular steering, the identification of avenues for assisting adsorption,

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Section: CI Silicon Surfacesmentioning

confidence: 99%

Use of molecular beams for kinetic measurements of chemical reactions on solid surfaces

Zaera

2017

Surface Science Reports

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“…The surface adsorption of Si 2 H 6 has been investigated to establish whether dissociative adsorption occurs via Si-Si or Si-H bond cleavage. Several experiments have demonstrated that the mechanism for the Si 2 H 6 dissociation into two SiH 3 fragments is attributed to the cleavage of the weaker Si-Si molecular bond [15,16]. The initial step is commonly accepted to involve the decomposition of Si 2 H 6 on Si(100)-(2 × 1) into two SiH 3 fragments via Si-Si bond cleavage.…”

Section: Introductionmentioning

confidence: 99%

Theoretical Analysis of Si2H6 Adsorption on Hydrogenated Silicon Surfaces for Fast Deposition Using Intermediate Pressure SiH4 Capacitively Coupled Plasma

Park

Kim

2021

Coatings

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The rapid and uniform growth of hydrogenated silicon (Si:H) films is essential for the manufacturing of future semiconductor devices; therefore, Si:H films are mainly deposited using SiH4-based plasmas. An increase in the pressure of the mixture gas has been demonstrated to increase the deposition rate in the SiH4-based plasmas. The fact that SiH4 more efficiently generates Si2H6 at higher gas pressures requires a theoretical investigation of the reactivity of Si2H6 on various surfaces. Therefore, we conducted first-principles density functional theory (DFT) calculations to understand the surface reactivity of Si2H6 on both hydrogenated (H-covered) Si(001) and Si(111) surfaces. The reactivity of Si2H6 molecules on hydrogenated Si surfaces was more energetically favorable than on clean Si surfaces. We also found that the hydrogenated Si(111) surface is the most efficient surface because the dissociation of Si2H6 on the hydrogenated Si(111) surface are thermodynamically and kinetically more favorable than those on the hydrogenated Si(001) surface. Finally, we simulated the SiH4/He capacitively coupled plasma (CCP) discharges for Si:H films deposition.

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“…The conditions achieved can approximate the high energy collisions which occur at high pressure, temperature, or in plasmas and allow activated and/or low probability processes to be simulated inside an ultrahigh vacuum environment. 8 For example, kinetic-energy enhanced activation of neutral species finds important applications in the technologies used for the deposition [10][11][12] and etching of silicon. 13 Translational activation of molecular precursors is not a completely general strategy for materials growth, however, since in many cases thermal decomposition may result from the use of high nozzle temperatures in the beam source.…”

Section: Introductionmentioning

confidence: 99%

Collision-induced activation of the β-hydride elimination reaction of isobutyl iodide dissociatively chemisorbed on Al(111)

Lohokare

Crane

Dubois

et al. 1998

The Journal of Chemical Physics

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The collision-induced activation of the endothermic surface reaction of isobutyl iodide chemisorbed on an Al(111) surface is demonstrated using inert-gas, hyperthermal atomic beams. The collision-induced reaction (CIR) is highly selective towards promoting the β-hydride elimination pathway of the chemisorbed isobutyl fragments. The cross section for the collision-induced reaction was measured over a wide range of energies (14–92 kcal/mol) at normal incidence for Ar, Kr, and Xe atom beams. The CIR cross section exhibits scaling as a function of the normal kinetic energy of the incident atoms. The threshold energy for the β-hydride elimination reaction calculated from the experimental results using a classical energy transfer model is ∼1.1 eV (∼25 kcal/mol). This value is in excellent agreement with that obtained from an analysis of the thermally activated kinetics of the reaction. The measured cross section shows a complex dependence on both the incident energy of the colliding atom and the thermal energy provided by the surface where the two energy modes are interchangeable. The dynamics are explained on the basis of an impulsive, bimolecular collision event where the β-hydride elimination proceeds via a possible tunneling mechanism. The threshold energy calculated in this manner is an upper limit given that it is derived from an analysis which ignores excitations of the internal modes of the chemisorbed alkyl groups.

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Dissociation and pyrolysis of Si2H6 on Si surfaces: The influence of surface structure and adlayer composition

Abstract: The oxidation of carbon monoxide on the Pt(110)(1×2) surface: The influence of the adlayer composition on the reaction dynamics

Cited by 44 publications

References 62 publications

Use of molecular beams for kinetic measurements of chemical reactions on solid surfaces

Use of molecular beams for kinetic measurements of chemical reactions on solid surfaces

Theoretical Analysis of Si2H6 Adsorption on Hydrogenated Silicon Surfaces for Fast Deposition Using Intermediate Pressure SiH4 Capacitively Coupled Plasma

Collision-induced activation of the β-hydride elimination reaction of isobutyl iodide dissociatively chemisorbed on Al(111)

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