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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...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2019
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Materias: | |
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 |