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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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Dettagli Bibliografici
Pubblicato in:Molecules
Autori principali: Dimakis, Nicholas, Salas, Isaiah, Gonzalez, Luis, Vadodaria, Om, Ruiz, Korinna, Bhatti, Muhammad I.
Natura: Artigo
Lingua:Inglês
Pubblicazione: MDPI 2019
Soggetti:
Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC6412830/
https://ncbi.nlm.nih.gov/pubmed/30791506
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules24040754
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