Experimental and theoretical investigation of BCl_3 decomposition in H_2
| Autor: | Francis Langlais, Guillaume Reinisch, Jean-Marc Leyssale, Nathalie Bertrand, Georges Chollon, Gerard L. Vignoles |
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| Přispěvatelé: | Laboratoire des Composites Thermostructuraux (LCTS), Université de Bordeaux (UB)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Institut de Chimie du CNRS (INC)-Snecma-SAFRAN group-Centre National de la Recherche Scientifique (CNRS) |
| Jazyk: | angličtina |
| Rok vydání: | 2008 |
| Předmět: |
Materials science
Thermodynamic equilibrium Thermodynamics 02 engineering and technology 010402 general chemistry Kinetic energy 7. Clean energy 01 natural sciences Reaction rate Chemical kinetics Transition state theory Materials Chemistry Deposition (phase transition) [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering Surfaces and Interfaces General Chemistry [CHIM.MATE]Chemical Sciences/Material chemistry 021001 nanoscience & nanotechnology Condensed Matter Physics Decomposition 0104 chemical sciences Surfaces Coatings and Films Physical chemistry Steady state (chemistry) 0210 nano-technology [CHIM.CHEM]Chemical Sciences/Cheminformatics |
| Zdroj: | Surface and Coatings Technology Surface and Coatings Technology, Elsevier, 2008, 203 (5-7), pp.643-647. ⟨10.1016/j.surfcoat.2008.04.086⟩ Surface and Coatings Technology, 2008, 203 (5-7), pp.643-647. ⟨10.1016/j.surfcoat.2008.04.086⟩ |
| ISSN: | 0257-8972 1879-3347 |
| Popis: | International audience; A combined experimental and theoretical study of the homogeneous decomposition of BCl3 in a H2 carrier gas is presented. A detailed description of the B/Cl/H thermodynamic equilibrium is first obtained from ab-initio calculations from which a restricted low energy chemical mechanism is identified to model the decomposition of BCl3. Transition state theory is then invoked to obtain reaction rates and the resulting kinetic mechanism is incorporated in a 1D model of a CVD reactor. Comparison of calculated steady state concentrations with in-situ FT-IR measurements shows a good agreement at low temperatures, thus validating the kinetic model. The divergence observed at higher temperatures is attributed to boron deposition. |
| Databáze: | OpenAIRE |
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