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For gas-phase reactions, the equilibrium constant may be expressed in terms of either the molar concentrations (Kc) or partial pressures (Kp) of the reactants and products. A relation between these two K values may be simply derived from the ideal gas equation and the definition of molarity. According to the ideal gas equation:
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Heterogeneous reactions in a HFCVD reactor: simulation using a 2D model.

Xochitl Aleyda Morán Martínez1, José Alberto Luna López2, Zaira Jocelyn Hernández Simón1

  • 1CONAHCYT-Posdoctorado-Centro de Investigaciones en Dispositivos Semiconductores (CIDS-ICUAP), Benemérita Universidad Autónoma de Puebla (BUAP). Col. San Manuel, Cd. Universitaria, Av. San Claudio y 14 sur, Edif. IC5 y IC6. Puebla, Pue., 72507 México.

Beilstein Journal of Nanotechnology
|December 24, 2024
PubMed
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A 2D simulation modeled silicon oxide (SiO) film growth in a hot filament chemical vapor deposition (HFCVD) reactor. The model accurately predicted key parameters and species concentrations, essential for developing advanced dielectric and optoelectronic devices.

Keywords:
2D modelHFCVDSiOx filmschemical reactionsflow dynamicshot filament chemical vapor deposition

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Area of Science:

  • Materials Science
  • Chemical Engineering
  • Computational Physics

Background:

  • Silicon oxide (SiO) films are crucial for semiconductor devices.
  • Hot Filament Chemical Vapor Deposition (HFCVD) is a viable method for SiO film synthesis.
  • Understanding the elementary chemical reactions in HFCVD is key to optimizing film properties.

Purpose of the Study:

  • To develop and validate a 2D simulation model for SiO film growth in an HFCVD reactor.
  • To investigate the elementary chemical reactions and key parameters governing the deposition process.
  • To correlate thermochemical data with reactor temperature profiles for accurate simulation.

Main Methods:

  • A 2D numerical model was employed, solving continuity, momentum, heat, and diffusion equations using the finite element method (COMSOL Multiphysics).
  • A thermochemical study of precursor reactions (quartz and hydrogen) was conducted to determine equilibrium constants.
  • Experimental temperature measurements were used to validate the simulation model under varying deposition conditions.

Main Results:

  • The simulation confirmed laminar flow of growth-contributing species.
  • Concentration profiles of essential species (H° and SiO) near filaments and sources matched expected distributions.
  • The model successfully simulated key HFCVD reactor parameters within a substrate temperature range of 450-500 °C.

Conclusions:

  • The validated 2D model provides a robust tool for simulating SiO film growth via HFCVD.
  • Accurate simulation of species concentrations is critical for controlling SiO film properties.
  • These SiO films, with embedded nanostructures, are promising for silicon-compatible dielectric, optoelectronic, and electroacoustic devices.