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Abstract <p>Thermodynamic modeling of the composition of condensed phases formed during the decomposition of the volatile precursor Fe(acac)<sub>3</sub>, iron(III) acetylacetonate is performed as a function of the conditions (temperatures, total pressures, and amounts of added oxygen). The initial thermodynamic data for gaseous and crystalline Fe(acac)<sub>3</sub> (the enthalpy and entropy of formation and the temperature dependences of heat capacity) and its sublimation are selected and processed. It is shown that introducing a set of consistent thermal data on the precursor does not affect the modeling results; i.e., the initial substance is thermodynamically unstable in equilibrium with possible components of the gas phase, complicating the model calculations. The obtained diagrams can be useful for optimizing processes of the chemical vapor-phase deposition of materials containing iron oxide or carbide phases.</p>

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Thermodynamic Modeling of the Composition of Condensed Phases during the Decomposition of Iron(III) Acetylacetonate

  • 期刊论文

  • 发表日期：

    2025年5月27日

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  • E. A. Rikhter,
  • S. E. Varvarinskaya,
  • S. V. Sysoev,
  • M. A. Bespyatov,
  • E. S. Vikulova,
  • N. V. Gelfond

摘要

Abstract

Thermodynamic modeling of the composition of condensed phases formed during the decomposition of the volatile precursor Fe(acac)3, iron(III) acetylacetonate is performed as a function of the conditions (temperatures, total pressures, and amounts of added oxygen). The initial thermodynamic data for gaseous and crystalline Fe(acac)3 (the enthalpy and entropy of formation and the temperature dependences of heat capacity) and its sublimation are selected and processed. It is shown that introducing a set of consistent thermal data on the precursor does not affect the modeling results; i.e., the initial substance is thermodynamically unstable in equilibrium with possible components of the gas phase, complicating the model calculations. The obtained diagrams can be useful for optimizing processes of the chemical vapor-phase deposition of materials containing iron oxide or carbide phases.