Studying chemical vapor deposition processes with theoretical chemistry

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dc.contributor.authorPedersen, Henrik
dc.contributor.authorElliott, Simon D.
dc.contributor.funderScience Foundation Irelanden
dc.date.accessioned2016-03-08T17:41:40Z
dc.date.available2016-03-08T17:41:40Z
dc.date.issued2014-03-18
dc.date.updated2015-04-13T15:40:02Z
dc.description.abstractIn 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.en
dc.description.sponsorshipScience Foundation Ireland (ALDesign project, 09/IN.1/I2628)en
dc.description.statusPeer revieweden
dc.description.versionAccepted Versionen
dc.format.mimetypeapplication/pdfen
dc.identifier.citationPEDERSEN, 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/s00214-014-1476-7en
dc.identifier.doi10.1007/s00214-014-1476-7
dc.identifier.endpage1486en
dc.identifier.issn1432-2234
dc.identifier.issn1432-881X
dc.identifier.issued5en
dc.identifier.journaltitleTheoretical Chemistry Accountsen
dc.identifier.startpage1476en
dc.identifier.urihttps://hdl.handle.net/10468/2423
dc.identifier.volume133en
dc.language.isoenen
dc.publisherSpringeren
dc.relation.urihttp://​www.​tyndall.​ie/​aldesign
dc.rights© Springer-Verlag Berlin Heidelberg 2014. The final publication is available at Springer via http://dx.doi.org/10.1007/s00214-014-1476-7en
dc.subjectAtomic layer deposition (ALD)en
dc.subjectThin filmsen
dc.subjectSurface chemistryen
dc.subjectGas phase chemistryen
dc.subjectTheoretical chemistryen
dc.subjectChemical vapor deposition (CVD)en
dc.subjectALDen
dc.subjectAtomic layer depositionen
dc.titleStudying chemical vapor deposition processes with theoretical chemistryen
dc.typeArticle (peer-reviewed)en
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