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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5736697/ https://www.ncbi.nlm.nih.gov/pubmed/29259262 http://dx.doi.org/10.1038/s41598-017-18170-8 |