Interaction of sodium bisulfate with mono- and bi-layer graphene
| Autor: | N. A. Cordero, Isabel G. Ayala |
|---|---|
| Rok vydání: | 2012 |
| Předmět: |
Materials science
Graphene Sodium Inorganic chemistry Intercalation (chemistry) chemistry.chemical_element Bioengineering General Chemistry Condensed Matter Physics Sodium bisulfate Atomic and Molecular Physics and Optics law.invention chemistry.chemical_compound chemistry Chemical engineering law Modeling and Simulation General Materials Science Graphite Bilayer graphene Graphene nanoribbons Graphene oxide paper |
| Zdroj: | Journal of Nanoparticle Research. 14 |
| ISSN: | 1572-896X 1388-0764 |
| DOI: | 10.1007/s11051-012-1071-6 |
| Popis: | The interaction of sodium bisulfate molecules with one and two graphene layers is studied using density functional theory calculations. Equilibrium configurations, electron transfers, binding energies, and densities of states are presented for two different concentrations and for both (cis and trans) molecule isomers. The adsorption of sodium bisulfate on monolayer graphene does not alter its unusual electrical conducting properties (it is a zero-band-gap semiconductor) when the concentration is low but when the concentration increases the system becomes a very weak conductor. The intercalation of sodium bisulfate inside bilayer graphene decouples the electronic behavior of the two graphene sheets and when the concentration of sodium bisulfate is high the system becomes a zero-band-gap semiconductor like monolayer graphene. Besides the intercalation of the molecules separates the two layers, reducing the interaction between them and making easier their separation. This fact explains the surfactant effect of molecules containing a sulfuric head with a sodium atom on carbon nanostructures, which helps to exfoliate graphene layers from graphite and to separate the nanotubes in a bundle. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|
Full text from SpringerLink