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Coverage-dependent essential properties of halogenated graphene: A DFT study
The significant halogenation effects on the essential properties of graphene are investigated by the first-principles method. The geometric structures, electronic properties, and magnetic configurations are greatly diversified under the various halogen adsorptions. Fluorination, with the strong mult...
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| Publicado no: | Sci Rep |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Publishing Group UK
2017
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5736697/ https://ncbi.nlm.nih.gov/pubmed/29259262 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-017-18170-8 |
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