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Journal of Nanomaterials
Volume 2017, Article ID 4705734, 6 pages
Research Article

Properties of Hydrogenated Nanoporous SiC: An Ab Initio Study

1Department of Physics, Penn State Behrend, Erie, PA 16563, USA
2Department of Physics and Astronomy, Vanderbilt University, Nashville, TN 37235, USA
3Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA

Correspondence should be addressed to Blair R. Tuttle; ude.usp@01trb

Received 4 November 2016; Accepted 20 December 2016; Published 10 January 2017

Academic Editor: Victor M. Castaño

Copyright © 2017 Blair R. Tuttle et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.


Nanoporous silicon carbide is part of the important organosilicate class of low dielectric constant alloys. We report first-principles microscopic calculations of the properties of crystalline nanoporous SiCH systems. Properties examined include the density, pore size, dielectric constant, and strain moduli. We examined the relationship between the various properties and the amount of hydrogen in the material. In addition, the bonding topology is examined. The present results are compared with a variety of experiments.