Theoretical Study of the Pyrolysis of Methyltrichlorosilane in the Gas Phase. 3. Reaction Rate Constant Calculations

Ge, Yingbin; Gordon, Mark S.; Battaglia, Francine; Fox, Rodney O.

doi:10.1021/jp911673h

Cited by 64 publications

(106 citation statements)

References 29 publications

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“…To study the variation of deposit composition with the increase in input power, we established a deposition model to describe the deposition behavior in continuous hot filament CVD. In this model, Ge et al's comprehensive kinetic mechanism is applied to analysis the rapid decomposition process of MTS in gas phase . Considering the short resident time of the reactants during this process, the most reactive intermediates, C 2 H 2 and SiCl 2 , are selected as primary reactants for surface reactions .…”

Section: Discussionmentioning

confidence: 99%

Microstructure and mechanical property of high growth rate SiC via continuous hot‐wire CVD

Liu

Yang

et al. 2019

J Am Ceram Soc

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An average growth rate of SiC at 3.4‐28.5 μm/min can be achieved via continuous hot‐wire CVD method with input powers of 300‐380 W. Raman spectroscopy, X‐ray photoelectron spectroscopy (XPS) analysis, and X‐ray diffraction (XRD) method, combined with scanning electron microscopy (SEM) and transmission electron microscopy (TEM) were applied to investigate the microstructure of deposits. At 300 W, amorphous SiC and Si were main products in deposit, which were rapidly replaced by crystallite SiC containing high density stacking faults at 340 W and above. Moreover, with the grain size of SiC increasing from ~25 to ~420 nm, the stacking faults probability decreasing from 0.179 to 0.125, as well as the surface morphology changed from loose‐packed granules to a well‐defined faceted structure with strong (111) texture. Structural changes led to the increase of deposit's Young's modulus from 266.3 to 341.5 GPa, and the mean tensile strength of SiC filament from 1.57 to 3.03 GPa. The successive growth of W/SiC interfacial layer above 360 W resulted in the reduction in mean tensile strength and Weibull moduls of SiC monofilaments, which agrees with the prediction from critical interfacial layer thickness theory.

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Section: Discussionmentioning

confidence: 99%

Microstructure and mechanical property of high growth rate SiC via continuous hot‐wire CVD

Liu

Yang

et al. 2019

J Am Ceram Soc

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“…However, the quantum chemical computations predict the presence of a barrier for this reaction (Ge et al 2010, Lu et al 2010. Therefore, we expect that this reaction should not proceed inside the helium droplets and that the reactions of carbon atoms are terminated after the formation of HCH molecules.…”

Section: Calorimetry Measurementsmentioning

confidence: 99%

Ultra-Low-Temperature Reactions of Carbon Atoms With Hydrogen Molecules

Krasnokutski

Kühn²,

Renzler³

et al. 2016

ApJL

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Abstract:The reactions of carbon atoms with dihydrogen have been investigated in liquid helium droplets at T = 0.37 K. A calorimetric technique was applied to monitor the energy released in the reaction. The barrierless reaction between a single carbon atom and a single dihydrogen molecule was detected. Reactions between dihydrogen clusters and carbon atoms have been studied by high-resolution mass spectrometry. The formation of hydrocarbon cations of the type C m H n + , with m = 1 -4 and n = 1 -15 was observed. With enhanced concentration of dihydrogen, the mass spectra demonstrated the main "magic" peak assigned to the CH 5 + cation. A simple formation pathway and the high stability of this cation suggest its high abundance in the interstellar medium.

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“…SiO 2 exhibits low activity for the disproportionation reaction due to the absence of acidic sites, and the conversion of MTS could be related to thermal decomposition. 35 All the investigated catalysts show similar catalytic behaviors, and the ASM-y catalysts exhibit higher catalytic activity as compared with SM. This is ascribed to the enhanced acidity of ASM-y catalysts ( Figure 5).…”

Section: Catalytic Activitiesmentioning

confidence: 86%

Catalytic Disproportionation of Methyltrichlorosilane by AL-MCM-41 to Prepare Dichlorodimethylsilane

Zhang

et al. 2012

Phosphorus, Sulfur, and Silicon and the Related Elements

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Al-MCM-41 samples with various Si/Al ratios were prepared and then used to disproportionate methyltrichlorosilane (MTS) to produce dichlorodimethylsilane (DMCS). The catalysts were characterized by FT-IR, X-ray powder diffraction (XRD), 27 Al magic angle spinning nuclear magnetic resonance ( 27 Al MAS NMR), inductively coupled plasma atomic emission spectroscopy (ICP-AES), and N 2 absorption-desorption. It reveals that all samples show the hexagonal structure of MCM-41 and exhibit large BET surface areas (over 842 m 2 ·g −1 ). FT-IR spectra of pyridine adsorption demonstrates that Al-MCM-41 samples have Lewis (L) and Brønsted (B) acidic sites, and the B acidic sites are stable in the temperature ranging from 423 to 623 K. The effects of aluminum content and temperature on the disproportionation reaction were also investigated. The results show that the Al-MCM-41 with the Si/Al ratio of 15:1 exhibits an excellent activity with 100% conversion of MTS and 47% selectivity of DMCS at 623 K under atmospheric pressure.

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Theoretical Study of the Pyrolysis of Methyltrichlorosilane in the Gas Phase. 3. Reaction Rate Constant Calculations

Cited by 64 publications

References 29 publications

Microstructure and mechanical property of high growth rate SiC via continuous hot‐wire CVD

Microstructure and mechanical property of high growth rate SiC via continuous hot‐wire CVD

Ultra-Low-Temperature Reactions of Carbon Atoms With Hydrogen Molecules

Catalytic Disproportionation of Methyltrichlorosilane by AL-MCM-41 to Prepare Dichlorodimethylsilane

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