Li and Na Adsorption on Graphene and Graphene Oxide Examined by Density Functional Theory, Quantum Theory of Atoms in Molecules, and Electron Localization Function

Adsorption of Li and Na on pristine and defective graphene and graphene oxide (GO) is studied using density functional theory (DFT) structural and electronic calculations, quantum theory of atoms in molecules (QTAIM), and electron localization function (ELF) analyses. DFT calculations show that Li a...

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Detalles Bibliográficos
Autores principales: Dimakis, Nicholas, Salas, Isaiah, Gonzalez, Luis, Vadodaria, Om, Ruiz, Korinna, Bhatti, Muhammad I.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6412830/
https://www.ncbi.nlm.nih.gov/pubmed/30791506
http://dx.doi.org/10.3390/molecules24040754

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