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Studying chemical vapor deposition processes with theoretical chemistry

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Abstract

In a chemical vapor deposition (CVD) process, a thin film of some material is deposited onto a surface via the chemical reactions of gaseous molecules that contain the atoms needed for the film material. These chemical reactions take place on the surface and in many cases also in the gas phase. To fully understand the chemistry in the process and thereby also have the best starting point for optimizing the process, theoretical chemical modeling is an invaluable tool for providing atomic-scale detail on surface and gas phase chemistry. This overview briefly introduces to the non-expert the main concepts, history and application of CVD, including the pulsed CVD variant known as atomic layer deposition, and put into perspective the use of theoretical chemistry in modeling these processes.

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Acknowledgments

S. D. Elliott would like to acknowledge financial support from Science Foundation Ireland under the ALDesign project, 09/IN.1/I2628, http://www.tyndall.ie/aldesign.

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Authors and Affiliations

  1. Department of Physics, Chemistry and Biology, Linköping University, 581 83, Linköping, Sweden

    Henrik Pedersen

  2. Tyndall National Institute, University College Cork, Lee Maltings, Cork, Ireland

    Simon D. Elliott

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  1. Henrik Pedersen
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  2. Simon D. Elliott
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Correspondence to Henrik Pedersen.

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Published as part of a special collection of articles focusing on chemical vapor deposition and atomic layer deposition.

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Pedersen, H., Elliott, S.D. Studying chemical vapor deposition processes with theoretical chemistry. Theor Chem Acc 133, 1476 (2014). https://doi.org/10.1007/s00214-014-1476-7

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