Investigation of the Pyrolytic Conversion of Poly(silylenemethylene) to Silicon Carbide

Liu, Q.; Wu, H.-J.; Lewis, R.; Maciel, Gary E.; Interrante, L. V.

doi:10.1021/cm981067c

Cited by 71 publications

(59 citation statements)

References 37 publications

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“…The weight loss in T L may be due to the volatilization of Si containing high-molecular-weight compound such as trimethylsilane, 2,25,26 because the values of calculated activation energy 88 kJmol and 86 kJmol for non cross-linked PCS with and without PS were too small to cause any bond cleavages and radical reactions reported or listed in Table 2. On the other hand, cross-linked samples cross-linked PCS and cross-linked PCS with PS showed no weight loss in T L .…”

Section: Results and Discussion 31 Tgms And Ft-ir Analysesmentioning

confidence: 99%

Structural Evolution during Conversion of Polycarbosilane Precursor into Silicon Carbide-Based Microporous Membranes

Suda¹,

Yamauchi²,

Uchimaru³

et al. 2006

J. Ceram. Soc. Japan

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Silicon carbide-based microporous ceramic membranes for hydrogen separation were prepared via pyrolysis of polycarbosilane as a polymeric precursor. To prepare membranes with excellent hydrogen separation performance, effects of hydrosililation cross linking, addition of thermally-labile polymer as well as pyrolysis conditions on the structural evolution during conversion of the polycarbosilane precursor into the silicon carbidebased microporous membranes, have been investigated. The results of the activation energy for possible reactions, change in functional groups, and nitrogen adsorption and gas permeance measurements suggested that the cross-linking reaction between triple bond and Si-H bond gave three dimensional networks, resulting in smaller micropore and larger surface area. The size of the gases evolved during pyrolysis was also suggested to have relationship with the micropore structure.

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Section: Results and Discussion 31 Tgms And Ft-ir Analysesmentioning

confidence: 99%

Structural Evolution during Conversion of Polycarbosilane Precursor into Silicon Carbide-Based Microporous Membranes

Suda¹,

Yamauchi²,

Uchimaru³

et al. 2006

J. Ceram. Soc. Japan

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“…SiC nanotubes are also being studied as storage medium for H 2 and CH 4 . 4,5 A particular class of materials that is of interest to us in the present paper is amorphous SiC films, which are fabricated 6 by pyrolysis of a partially allyl-substituted hydridopolycarbosilane (HPCS) and by chemical vapor deposition (CVD) using HPCS. Fundamental understanding of any phenomenon involving amorphous SiC (and similar materials) entails having an accurate atomistic model of the material.…”

Section: Introductionmentioning

confidence: 99%

First principles-based multiparadigm, multiscale strategy for simulating complex materials processes with applications to amorphous SiC films

Naserifar

Goddard

Tsotsis

et al. 2015

The Journal of Chemical Physics

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Progress has recently been made in developing reactive force fields to describe chemical reactions in systems too large for quantum mechanical (QM) methods. In particular, ReaxFF, a force field with parameters that are obtained solely from fitting QM reaction data, has been used to predict structures and properties of many materials. Important applications require, however, determination of the final structures produced by such complex processes as chemical vapor deposition, atomic layer deposition, and formation of ceramic films by pyrolysis of polymers. This requires the force field to properly describe the formation of other products of the process, in addition to yielding the final structure of the material. We describe a strategy for accomplishing this and present an example of its use for forming amorphous SiC films that have a wide variety of applications. Extensive reactive molecular dynamics (MD) simulations have been carried out to simulate the pyrolysis of hydridopolycarbosilane. The reaction products all agree with the experimental data. After removing the reaction products, the system is cooled down to room temperature at which it produces amorphous SiC film, for which the computed radial distribution function, x-ray diffraction pattern, and the equation of state describing the three main SiC polytypes agree with the data and with the QM calculations. Extensive MD simulations have also been carried out to compute other structural properties, as well the effective diffusivities of light gases in the amorphous SiC film. C 2015 AIP Publishing LLC. [http://dx

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“…where d i is the density of the precursor (Table 2), V i is the total volume of liquid precursor injected, M i is its molecular weight (90 g·mol −1 for DSB and the arbitrary value M n = 2000 for PSE that is a mixture of [42,43] linear, branched and cyclic oligomers according to [13,14,22]) and t is the duration of the CVD run. Therefore, using pure precursors, the molecular flow rate of precursors was 1.98 * 10 , which is 18 times lower than using the pure PSE precursor.…”

Section: Methodsmentioning

confidence: 99%

SiC coatings grown by liquid injection chemical vapor deposition using single source metal-organic precursors

Boisselier

Maury

Schuster

2013

Surface and Coatings Technology

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Frédéric Schuster. SiC coatings grown by liquid injection chemical vapor deposition using single source metal-organic precursors. Surface and Coatings Technology, Elsevier, 2013, vol. 215, pp. 152-160. 10.1016/j.surfcoat.2012 SiC coatings have been grown by direct liquid injection of organosilanes in a hot-wall chemical vapor deposition reactor (DLICVD). 1,3-disilabutane (DSB) and polysilaethylene (PSE) were used as single-source precursors. Amorphous and stoichiometric SiC coatings were deposited under low pressure on various substrates in the temperature range of 923-1073 K. Thickness gradients due to the temperature profiles and the precursor depletion were observed along the reactor axis but the thickness uniformity could be improved as a function of the deposition conditions. Growth rates as high as 90 μm·h −1 were obtained using pure precursors. The injection of PSE solutions in toluene significantly reduces the deposition rate due to the decrease of the PSE mole fraction but allows a better control of the growth rates and the microstructure of coatings. They exhibit a smooth surface morphology and a very dense structure. The films grown using pure precursors exhibit an Si:C atomic ratio equal to 1:1 while those using toluene solutions are slightly C-rich (54 at.% C). The presence of solvent vapor in the CVD reactor becomes a source of carbon contamination at deposition temperatures equal to or higher than 1073 K. The influence of the growth conditions is discussed, in particular the presence of toluene vapor.

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Investigation of the Pyrolytic Conversion of Poly(silylenemethylene) to Silicon Carbide

Cited by 71 publications

References 37 publications

Structural Evolution during Conversion of Polycarbosilane Precursor into Silicon Carbide-Based Microporous Membranes

Structural Evolution during Conversion of Polycarbosilane Precursor into Silicon Carbide-Based Microporous Membranes

First principles-based multiparadigm, multiscale strategy for simulating complex materials processes with applications to amorphous SiC films

SiC coatings grown by liquid injection chemical vapor deposition using single source metal-organic precursors

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