Thermodynamic modelling of MOCVD of ZrO2 from β-diketonates and different oxygen sources

Fredriksson, Eva; Forsgren, Katarina

doi:10.1016/s0257-8972(96)02930-1

Cited by 15 publications

(9 citation statements)

References 8 publications

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“…(3), (7) and (9) were obtained on the basis that equilibrium is reached in the system, which is rarely the case in a CVD process, it is clear that the thermodynamic calculations performed in this work can only give fundamental information that enhance the understanding of CVD process. However this information can be used as a prediction of the trends when experimental conditions are modified [13,14,16]. Fig.…”

Section: Cp • H • and S • Estimationmentioning

confidence: 99%

“…Therefore, the thermodynamic simulation is a method to optimize the CVD process avoiding experimentation based on trial and error [15]. All of the three phases of ZrO 2 (monoclinic, tetragonal and cubic) are reported in the literature but only a few models of thermodynamic ZrO 2 CVD films have been published [16,17]. In previous works [4,5], ZrO 2 , IrO 2 and Pt thin films have been synthesized by CVD process and now, as a continuation of these works, a thermodynamic study to explain the phase and the conditions that promote the formation of pure ZrO 2 from a ␤-diketonate precursor (Zr-acetylacetonate, Zr(acac) 4 ) and oxygen (O 2 ) as carrier/reactive gas, is carried out from the estimation of thermodynamic data (Cp • , H • and S • at 298 K).…”

Section: Introductionmentioning

confidence: 99%

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Thermodynamic study of CVD–ZrO2 phase diagrams

Torres‐Huerta

Vargas-Garcı́a²,

Domínguez‐Crespo

et al. 2009

Journal of Alloys and Compounds

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Section: Cp • H • and S • Estimationmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Thermodynamic study of CVD–ZrO2 phase diagrams

Torres‐Huerta

Vargas-Garcı́a²,

Domínguez‐Crespo

et al. 2009

Journal of Alloys and Compounds

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“…Sarin (1995) has demonstrated that partial or complete coupling of modeling, based on fundamental principles related to equilibrium thermodynamics and process kinetics, and the corresponding experimentations, can be effectively used systematically to develop customized CVD coatings. Thermodynamic modeling has also been employed to analyse the MOCVD process for thin films of RuO 2 (Kang et al 2000), Cu (Mukhopadhyay et al 2002a, b), ZrO 2 (Baum and Larson 1993;Fredriksson and Forsgren 1995;Dhar et al 2008a) and iron oxides (Dhar et al 2008b). Such analysis computes the compositions of the thin films and the gaseous products as functions of parameters such as temperature, pressure, and partial pressure of various gases.…”

Section: Introductionmentioning

confidence: 99%

Thermodynamic modeling to analyse composition of carbonaceous coatings of MnO and other oxides of manganese grown by MOCVD

2011

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Equilibrium thermodynamic analysis has been applied to the low-pressure MOCVD process using manganese acetylacetonate as the precursor. "CVD phase stability diagrams" have been constructed separately for the processes carried out in argon and oxygen ambient, depicting the compositions of the resulting films as functions of CVD parameters. For the process conduced in argon ambient, the analysis predicts the simultaneous deposition of MnO and elemental carbon in 1:3 molar proportion, over a range of temperatures. The analysis predicts also that, if CVD is carried out in oxygen ambient, even a very low flow of oxygen leads to the complete absence of carbon in the film deposited oxygen, with greater oxygen flow resulting in the simultaneous deposition of two different manganese oxides under certain conditions. The results of thermodynamic modeling have been verified quantitatively for lowpressure CVD conducted in argon ambient. Indeed, the large excess of carbon in the deposit is found to constitute a MnO/C nanocomposite, the associated cauliflower-like morphology making it a promising candidate for electrode material in supercapacitors. CVD carried out in oxygen flow, under specific conditions, leads to the deposition of more than one manganese oxide, as expected from thermodynamic analysis (and forming an oxide-oxide nanocomposite). These results together demonstrate that thermodynamic analysis of the MOCVD process can be employed to synthesize thin films in a predictive manner, thus avoiding the inefficient trial-and-error method usually associated with MOCVD process development. The prospect of developing thin films of novel compositions and characteristics in a predictive manner, through the appropriate choice of CVD precursors and process conditions, emerges from the present work.

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“…versatile oxide sources for nanopowders, 1 reinforced, 2 or other task-specific ceramic composites, 3,4 and MOCVD precursors for dielectric oxide films. [5][6][7][8][9] In particular, compounds bearing linkable terminal substituents, like the 3-acetyl-2,4-pentanedionato complexes presented herein, hold the potential for the synthesis of new coordination polymers, namely metal-organic frameworks (MOFs). This class of porous materials is attracting continuing attention due to their large pore sizes, high apparent surface areas, and selective uptake of small molecules.…”

Section: Introductionmentioning

confidence: 99%