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Tunable Electronic Properties of Nitrogen and Sulfur Doped Graphene: Density Functional Theory Approach

We calculated the band structures of a variety of N- and S-doped graphenes in order to understand the effects of the N and S dopants on the graphene electronic structure using density functional theory (DFT). Band-structure analysis revealed energy band upshifting above the Fermi level compared to p...

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Detalles Bibliográficos
Autores principales:	Lee, Ji Hye, Kwon, Sung Hyun, Kwon, Soonchul, Cho, Min, Kim, Kwang Ho, Han, Tae Hee, Lee, Seung Geol
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2019
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6409776/ https://www.ncbi.nlm.nih.gov/pubmed/30781379 http://dx.doi.org/10.3390/nano9020268

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