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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...
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| Main Authors: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Springer
2012
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3305479/ https://ncbi.nlm.nih.gov/pubmed/22373326 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1556-276X-7-158 |
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