Flow-Tube Investigation of the High-Temperature Reaction between BCl<sub>3</sub> and NH<sub>3</sub>

McDaniel, Anthony H.; Allendorf, Mark D.

doi:10.1021/jp981846g

Cited by 28 publications

(13 citation statements)

References 36 publications

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“…An explanation could be that experimental thermodynamic data on AlN above 930 1C [41] and other compounds such as AlCl 3 .NH 3 [12,42,43] are not available. Furthermore, the existence of a Cl 2 AlNH 2 species which is also not included in these calculations is supposed by ab-initio calculations above 600-700 1C [44] and by analogy with Cl 2 BNH 2 [45,[47][48][49] (coming from direct reaction in gas phase between BCl 3 and NH 3 ) which was measured by HT mass spectrometry measurements in CVD conditions and seems to be a key species in BN deposition process [50,51]. Fig.…”

Section: Thermodynamic Analysismentioning

confidence: 99%

Thermodynamic and experimental investigations on the growth of thick aluminum nitride layers by high temperature CVD

Claudel¹,

Blanquet²,

Chaussende³

et al. 2009

Journal of Crystal Growth

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To achieve AlN bulk growth, high temperature CVD process using chlorine chemistry was investigated. High growth rate and high crystalline quality are targeted for both polycrystalline and epitaxial AlN films grown on (0 0 0 1) alpha-Al2O3 Sapphire and (0 0 0 1) off axis 4H SiC or on axis 6H SiC single crystal Substrates. Thermodynamic calculations were carried out to select the more appropriate inert materials for the reactor and to understand the chemistries of Al chlorination and AlN deposition steps. The reactants were ammonia (NH3) and aluminum chlorides (AlClx) species formed in situ using chlorine gas (Cl-2) reaction with high purity Al wires. Deposition temperature was varying from 1100 to 1800 degrees C. Influences of temperature, total pressure, Cl-2 flow rate and carrier gas (Ar or H-2) on growth rate, surface morphology and crystalline state are presented. As results, films morphology is related to a variation of the thermodynamic supersaturation. As-grown AlN layers surface morphologies were studied by SEM, FEG-SEM and AFM. Crystalline state, crystallographic orientations and epitaxial relationships with substrates were obtained from theta/2 theta X-ray diffraction and X-ray pole figure, respectively. Growth rates up to 200 mu m h(-1) have been reached for polycrystalline AlN layers. (C) 2009 Elsevier B.V. All rights reserved

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Section: Thermodynamic Analysismentioning

confidence: 99%

Thermodynamic and experimental investigations on the growth of thick aluminum nitride layers by high temperature CVD

Claudel¹,

Blanquet²,

Chaussende³

et al. 2009

Journal of Crystal Growth

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“…Theoretical research found in the literature includes thermodynamic equilibrium calculations for mixtures involving B/F/N/H [1][2][3][4][5], B/Cl/N/H [4,5], and B/N/H [4], as well as limited kinetics studies of the reactions between BCl 3 and NH 3 [6,7]. P. R. P. Barreto developed a kinetic and surface mechanism to explain the growth of boron nitride [8 -11] (private communication, 2000); this mechanism is constantly upgrading, including new reaction and new species.…”

Section: Introduction Tmentioning

confidence: 99%

Thermochemistry of molecules in the B/F/H/N system

Barreto

Albernaz

Gargano

2005

Int J of Quantum Chemistry

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ABSTRACT:A self-consistent set of thermochemical data for 88 chemical species in the B/F/H/N system is obtained from ab initio electronic structure calculation. Calculations were performed for both stable and radical species. The quantities calculated include the atomization energy (¥ D 0 ), heat of formation (⌬H f ) at 0 K and 298.15 K, and bond dissociation energies (BDE) for all species. Good agreement is found between the calculation data and experimental or theoretical reference data for the quantities analyzed in this work for several species containing B, F, H, and N atoms. We also present a compilation of experimental and theoretical atomization energies (16 experimental ϫ 26 theoretical data), heat of formation at 0 K (25 experimental ϫ 26 theoretical data), heat of formation at 298 K (29 experimental ϫ 36 theoretical data), and bond dissociation energy for several species. Polynomial fits of the predicted thermodynamic data (heat capacity, entropy, and enthalpy) over the 200 -6000 K temperature range are also included, for the 88 species. The species analyzed in this study are important in a kinetic mechanism for growth boron nitride films in a Chemical Vapour Deposition (CVD) reactor. It is generally difficult to optimize conditions in a CVD reactor because films properties depend on complex interactions involving heat and mass transport, chemical kinetics, and thermochemistry. Developing a reliable set of thermodynamic data is a necessary first step for system optimization, since it provides important constraints on the possible reaction mechanism. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem 103: 659 -684, 2005

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“…Since the rate constant r for the reaction in Eq. (7) has not been reported in the literature, r (m 3 mol À1 s À1 ) ¼ 4.21 Â 10 5 exp(À8.35 kcal mol À1 -s À1 /RT) is used in reference to the data from McDaniel and Allendorf [25] for the following reaction:…”

Section: Surface/gas Phase Reactionsmentioning

confidence: 99%