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Precursor Chemistry of Advanced Materials pp 1–48Cite as

Gas-Phase Thermochemistry and Mechanism of Organometallic Tin Oxide CVD Precursors

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Part of the book series: Topics in Organometallic Chemistry ((TOPORGAN,volume 9))

Abstract

Organometallic compounds are commonly used precursors for the formation of tin oxide films by chemical vapor deposition (CVD) methods. The high temperatures (600–700°C) used in CVD lead to chemical reactions in the gas phase that in some cases control the deposition process. Lack of data concerning both the thermochemistry and kinetics of these reactions inhibits the development of predictive models that can be used for process optimization. In this article, we review recent work in which a combination of experimental and theoretical methods are used to develop elementary reaction mechanisms for the pyrolysis, oxidation, and hydrolysis of organometallic tin compounds. A major focus of our work in this field is the development of quantum-chemistry methods that can predict heats of formation for a broad range of tin compounds. In addition to providing data needed to calculate bond energies, reaction enthalpies, and to perform equilibrium calculations, the calculations identified several complexes between chlorides of tin with water that may be key intermediates in the hydrolysis of chlorinated organotin precursors during CVD. Based on the data from the ab initio and equilibrium calculations, a reaction pathway analysis has been carried out for the oxidation and hydrolysis of dimethyltin dichloride and monobutyltin trichloride. Possible reaction pathways leading to tin hydroxides are identified, which equilibrium calculations show to be the most stable tin-containing gas-phase species under typical deposition conditions.

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Authors and Affiliations

  1. Combustion Research Facility, Sandia National Laboratories, 94551 0969, Livermore, CA, USA

    Mark D. Allendorf

  2. TNO Science and Industry, Holst Centre, Eindhoven, The Netherlands

    A. M. B. van Mol

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  1. Mark D. Allendorf
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  2. A. M. B. van Mol
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Correspondence to Mark D. Allendorf .

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Roland A. Fischer

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Allendorf, M.D., van Mol, A.M.B. Gas-Phase Thermochemistry and Mechanism of Organometallic Tin Oxide CVD Precursors . In: Fischer, R.A. (eds) Precursor Chemistry of Advanced Materials. Topics in Organometallic Chemistry, vol 9. Springer, Berlin, Heidelberg. https://doi.org/10.1007/b136141

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