Adsorption Of Carbon Adatoms To Graphene And Its Nanoribbons
| Autor: | Salim Ciraci, Hasan Sahin, Can Ataca, Ethem Aktürk |
|---|---|
| Přispěvatelé: | Çıracı, Salim |
| Rok vydání: | 2011 |
| Předmět: |
Materials science
First-principles General Physics and Astronomy chemistry.chemical_element Carbon impurities law.invention Adatoms Semi-metals Passivation Condensed Matter::Materials Science law Magnetic properties Cluster (physics) Physics::Atomic and Molecular Clusters Nonmagnetics Formation energies Physics::Chemical Physics Condensed matter physics Magnetic moment Graphene Nanoribbons Semimetal Carbon atoms Electronic and magnetic properties Plane wave calculations chemistry Zigzag Cluster formations Magnetic moments Density functional theory Adsorption Carbon Carbon ad-atoms Graphene nanoribbons |
| Zdroj: | Journal of Applied Physics |
| Popis: | This paper investigates the adsorption of carbon adatoms on graphene and its nanoribbons using first-principles plane wave calculations within density functional theory. The stability at high carbon adatom coverage, migration, and cluster formation of carbon atoms are analyzed. Carbon adatoms give rise to important changes in electronic and magnetic properties even at low coverage. While bare graphene is nonmagnetic semimetal, it is metallized and acquires magnetic moment upon coverage of carbon adatoms. Calculated magnetic moments vary depending on the coverage of adatoms even for large adatom-adatom distances. Electronic and magnetic properties of hydrogen passivated armchair and zigzag nanoribbons show strong dependence on the adsorption site.We also predict a new type of carbon impurity defect in graphene, which has a small formation energy. Interactions between distant carbon adatoms imply a long ranged interaction. © 2011 American Institute of Physics.2011 American Institute of Physics. |
| Databáze: | OpenAIRE |
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