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CCI Radicals As a Carbon Source for Diamond Thin Film Deposition

An, Qi and Cheng, Mu-Jeng and Goddard, William A., III and Jaramillo-Botero, Andres (2014) CCI Radicals As a Carbon Source for Diamond Thin Film Deposition. Journal of Physical Chemistry Letters, 2014 (5). pp. 481-484. ISSN 1948-7185 . http://resolver.caltech.edu/CaltechAUTHORS:20140129-133221585

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Abstract

We use first-principles quantum mechanical calculations to study diamond thin film growth on the (100) surface using CCI radicals as the carbon source. Our results show that CCI inserts into the surface dimer C–C bonds with a barrier of 10.5 kcal/mol, roughly half of the energy required for traditional CH_2 insertion (22.0 kcal/mol). In addition to this, CCI has improved surface mobility (~30.0 kcal/mol barrier, versus 35 kcal/mol for CH_2, along the C–C dimer chain direction), and hydrogen abstraction from the surface is also favored via atomic CI in the vapor phase. These results explain the lower substrate temperatures achieved in crystal diamond growth from the use of chlorinated sources in CVD processes, as opposed to the more traditional CH_4/H_2 derived species. Our results also suggest that further reductions in substrate temperatures are possible from using CCI as the only carbon source.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://pubs.acs.org/doi/abs/10.1021/jz402527yPublisherArticle
http://dx.doi.org/10.1021/jz402527yDOIArticle
ORCID:
AuthorORCID
An, Qi0000-0003-4838-6232
Cheng, Mu-Jeng0000-0002-8121-0485
Goddard, William A., III0000-0003-0097-5716
Jaramillo-Botero, Andres0000-0003-2844-0756
Additional Information:© 2014 American Chemical Society. Received: November 21, 2013. Accepted: January 13, 2014. Publication Date (Web): January 13, 2014. The Defense Advanced Research Projects Agency (DARPA) supported this work under Grant No. N660011214037. The authors wish to thank Dr. Brian Holloway (1st PM), Dr. Tyler McQuade (2nd PM), and Dr. Anne Fischer for their support in the DARPA LoCo program. The authors declare no competing financial interest.
Funders:
Funding AgencyGrant Number
Defense Advanced Research Project Agency (DARPA)N660011214037
Record Number:CaltechAUTHORS:20140129-133221585
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:20140129-133221585
Official Citation:CCl Radicals As a Carbon Source for Diamond Thin Film Deposition Qi An, Mu-Jeng Cheng, William A. Goddard, III, and Andres Jaramillo-Botero The Journal of Physical Chemistry Letters 2014, 5, pp 481–484
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:43555
Collection:CaltechAUTHORS
Deposited By: Ruth Sustaita
Deposited On:29 Jan 2014 21:51
Last Modified:03 Jan 2018 18:22

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