Thermodynamics and kinetics of gas-phase reactions in the Ti-Cl-H system
- Perpignan Univ. (France). Inst. de Science et de Genie des Materiaux et Procedes
- Sandia National Labs., Livermore, CA (United States). Combustion Research Facility
A mechanism and associated rate constants for the gas-phase chemical reactions that occur during the chemical vapor deposition (CVD) of titanium from titanium tetrachloride (TiCl{sub 4})/hydrogen mixtures is presented. TiCl{sub 4} is the most widely used inorganic precursor employed in the CVD of titanium-containing materials, such as titanium nitride, titanium carbide, and titanium diboride. In this work, rate constants for the unimolecular decomposition reactions of the titanium chlorides were predicted using Rice-Ramsberger-Kassel-Marcus theory for unimolecular reaction, while the rate constants for bimolecular reactions between TiCl{sub n} species and hydrogen atoms were estimated using an empirical correlation. Calculations at thermodynamic equilibrium over a range of temperatures and total pressures characteristic of Ti CVD conditions are presented first. The time-dependent evolution of the gas-phase composition is then simulated using the proposed mechanism. The results suggest that equilibrium predictions of gas-phase concentrations should be a good approximation at 1,500 K, unless very short residence times and low pressures are involved. In contrast, equilibrium calculations do not accurately reflect the gas-phase composition at 1,000 K.
- Sponsoring Organization:
- Sandia National Labs., Albuquerque, NM (United States)
- OSTI ID:
- 653361
- Journal Information:
- Journal of the Electrochemical Society, Vol. 145, Issue 6; Other Information: PBD: Jun 1998
- Country of Publication:
- United States
- Language:
- English
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