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First-principles investigations of manganese oxide (MnO(x)) complex-sandwiched bilayer graphene systems
In this paper, we calculate the structural, electronic, magnetic and optical parameters of MnO(x) (x = 0–4), cluster-sandwiched bilayer graphene (Gr) systems, utilizing first-principles calculations with van der Waals corrections implemented with density functional theory (DFT). Charge transfer is o...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9081751/ https://www.ncbi.nlm.nih.gov/pubmed/35540279 http://dx.doi.org/10.1039/c8ra03484b |