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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...

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Detalles Bibliográficos
Autores principales:	Muhammad, Rafique, Shuai, Yong, Irfan, Ahmed, He-Ping, Tan
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2018
Materias:	Chemistry
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

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