Studying chemical vapor deposition processes with theoretical chemistry

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Date
2014-03-18
Authors
Pedersen, Henrik
Elliott, Simon D.
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Springer
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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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Keywords
Atomic layer deposition (ALD) , Thin films , Surface chemistry , Gas phase chemistry , Theoretical chemistry , Chemical vapor deposition (CVD) , ALD , Atomic layer deposition
Citation
PEDERSEN, H. & ELLIOTT, S. D. 2014. Studying chemical vapor deposition processes with theoretical chemistry. Theoretical Chemistry Accounts, 133, 1-10. http://dx.doi.org/10.1007/s00214-014-1476-7
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© Springer-Verlag Berlin Heidelberg 2014. The final publication is available at Springer via http://dx.doi.org/10.1007/s00214-014-1476-7