Experimental and theoretical investigation of BCl3 decomposition in H2

✍ Scribed by G. Reinisch; J.-M. Leyssale; N. Bertrand; G. Chollon; F. Langlais; G. Vignoles

• Publisher: Elsevier Science
• Year: 2008
• Tongue: English
• Weight: 604 KB
• Volume: 203
• Category: Article
• ISSN: 0257-8972
• DOI: 10.1016/j.surfcoat.2008.04.086

✦ Synopsis

A combined experimental and theoretical study of the homogeneous decomposition of BCl 3 in a H 2 carrier gas is presented. A detailed description of the B/Cl/H thermodynamic equilibrium is first obtained from abinitio calculations from which a restricted low energy chemical mechanism is identified to model the decomposition of BCl 3 . 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.