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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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Detalles Bibliográficos
Autores principales: Tran, Ngoc Thanh Thuy, Nguyen, Duy Khanh, Glukhova, Olga E., Lin, Ming-Fa
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2017
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