Hydrogen reverses the clustering tendency of carbon in amorphous silicon oxycarbide

Amorphous silicon oxycarbide (SiOC) is of great technological interest. However, its atomic-level structure is not well understood. Using density functional theory calculations, we show that the clustering tendency of C atoms in SiOC is extremely sensitive to hydrogen (H): without H, the C-C interac...

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Bibliographic Details
Main Authors: Ding, Hepeng, Demkowicz, Michael J.
Other Authors: Massachusetts Institute of Technology. Department of Materials Science and Engineering
Format: Article
Language:en_US
Published: Nature Publishing Group 2015
Online Access:http://hdl.handle.net/1721.1/100532
https://orcid.org/0000-0002-6832-1068
https://orcid.org/0000-0003-3949-0441