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Electronic and Magnetic Properties of Stone–Wales Defected Graphene Decorated with the Half-Metallocene of M (M = Fe, Co, Ni): A First Principle Study

The geometrical, electronic structure, and magnetic properties of the half-metallocene of M (M = Fe, Co, Ni) adsorbed on Stone–Wales defected graphene (SWG) were studied using the density functional theory (DFT), aiming to tune the band structure of SWG. The introduction of cyclopentadienyl (Cp) and...

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Detalles Bibliográficos
Autores principales:	Xie, Kefeng, Jia, Qiangqiang, Zhang, Xiangtai, Fu, Li, Zhao, Guohu
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2018
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6071256/ https://www.ncbi.nlm.nih.gov/pubmed/30037016 http://dx.doi.org/10.3390/nano8070552

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