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Density functional theory calculations on graphene/α-SiO(2)(0001) interface
In this work, the graphene/α-SiO(2)(0001) interface is calculated using density functional theory. On the oxygen-terminated SiO(2 )surface, atomic structure reconstruction occurs at the graphene/SiO(2 )interface to eliminate the dangling bonds. The interface interaction is 77 meV/C atom, which indic...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer
2012
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3305479/ https://www.ncbi.nlm.nih.gov/pubmed/22373326 http://dx.doi.org/10.1186/1556-276X-7-158 |