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May 27, 2026Russian Journal of Inorganic Chemistry0 citations

Thermodynamic Modeling of Phase Formation in the Co–Si–C–H System

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ВШВ. А. ШестаковNikolaev Institute of Inorganic ChemistryMKM. L. KosinovaNikolaev Institute of Inorganic Chemistry

Key Points

  • The aim is to model the phase formation during the film synthesis process in the Co–Si–C–H system using thermodynamic principles.
  • Thermodynamic modeling was employed to study film synthesis from gas phase during cobaltocene decomposition.
  • CVD diagrams were plotted based on the minimum Gibbs energy in a quasi-equilibrium regime.
  • Various phase complexes were identified based on different reactor temperatures and gas mixture compositions.
  • Multiple phase complexes such as CoSi + SiC and CoSi2 + CoSi + SiC were identified depending on process parameters.
  • The results indicate that silicon carbide and cobalt silicides can be synthesized under specific conditions.
  • Calculations can guide the development of gas-phase processes for producing these coatings.

Abstract

Thermodynamic modeling of the film synthesis process from the gas phase in the Co–Si–C–H system was performed during the decomposition of cobaltocene in a mixture with silane and hydrogen to plot chemical vapor deposition (CVD) diagrams. It was assumed that the process occurs in a quasi-equilibrium regime and that the film and gas phase composition in the reactor correspond to the minimum Gibbs energy in the system. It was shown that various phase complexes containing silicon carbide and cobalt silicides can be obtained in the studied system. Depending on the CVD process parameters (reactor temperature, composition of the initial gas mixture), the following complexes can be obtained: CoSi + SiC, CoSi + SiC + C, CoSi2 + CoSi + SiC, and CoSi2 + SiC + Si. The calculation results can be used to develop a gas-phase process for the formation of coatings consisting of these phases.

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Cite This Study

Шестаков et al. (2026) studied this question.

synapsesocial.com/papers/6a1689a80c924ddd1bd58477https://doi.org/10.1134/s0036023626600292
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