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- W1973058518 abstract "Ion-molecule reactions of CH+3 and SiH+3 with CH4 and SiH4 were studied for the SiC formation process involved in plasma enhanced chemical vapor deposition by using ab initio quantum chemical techniques. The geometries of the adducts, transition states, and products identified for the following reactions were obtained using the MP2 (full)/6–31G∗∗ basis set. CH+3 + SiH4 → CH4 + SiH+3 (1) CH+3 + SiH4 → CHiH+5 + H2 (2) SiH+3 + CH4 → CSiH+5 + H2 (3) SiH+3 + SiH4 → Si2H+5 + H2 (4) CH+3 + CH4 → C2H+5 + H2 (5) The energetics were calculated at the higher levels of electron correlation theories. As a result, the order of ease of bond formation is predicted to be SiSi SiC CC. This order is similar to our previous prediction for the radical chain mechanism (Tachibana et al., J. Phys. Chem., 95 (1991) 6849), and consistent with the experimental observation that in low-power glow discharge, even for a mixture of more than 90% of methane, the concentration of carbon incorporated in the solid cannot be larger than 40% (Solomon et al., Phys. Rev. B, 38 (1988) 9895)." @default.
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- W1973058518 date "1994-09-01" @default.
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- W1973058518 title "Quantum chemical study of the SiC formation process in plasma enhanced chemical vapor deposition system" @default.
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- W1973058518 doi "https://doi.org/10.1016/0166-1280(94)85035-6" @default.
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