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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...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Nature Publishing Group
2015
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4535037/ https://www.ncbi.nlm.nih.gov/pubmed/26269200 http://dx.doi.org/10.1038/srep13051 |