Energetics and electronic structure of semiconducting single-walled carbon nanotubes adsorbed on metal surfaces
| Autor: | Yoshiteru Takagi, Susumu Okada |
|---|---|
| Rok vydání: | 2011 |
| Předmět: |
Valence (chemistry)
Materials science Selective chemistry of single-walled nanotubes Nanotechnology Electronic structure Carbon nanotube Condensed Matter Physics Electronic Optical and Magnetic Materials law.invention Carbon nanotube quantum dot Metal Optical properties of carbon nanotubes Chemical physics Covalent bond law visual_art visual_art.visual_art_medium |
| Zdroj: | Physical Review B. 84 |
| ISSN: | 1550-235X 1098-0121 |
| DOI: | 10.1103/physrevb.84.035406 |
| Popis: | We investigated the electronic structure of semiconducting single-walled carbon nanotubes (CNTs) adsorbed on the (111) surfaces of Au, Ag, Pt, and Pd and on the (0001) surfaces of Mg by first-principles calculations. Our calculations show that the electronic structure of the CNTs adsorbed on the metal surfaces strongly depends on the metal species. We found that on Pd surfaces, the characteristic one-dimensional electronic structure of the CNTs is totally disrupted by the strong hybridization between the $\ensuremath{\pi}$ state of the CNTs and the $d$ state of the Pd surfaces. In sharp contrast, on the Au surfaces, the CNTs retain the one-dimensional properties of their electronic structure. The distribution of the total valence charge of the CNTs on the Pd surfaces also shows a strong covalent nature between the CNTs and the surfaces. Our calculations show the importance of metal electrodes in designing CNT electronic devices. |
| Databáze: | OpenAIRE |
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