Conductivity of AuCl4-Functionalized Carbon Nanotube Networks
| Autor: | Ville Havu, T. Ketolainen, Martti J. Puska |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2017 |
| Předmět: |
Nanotube
Materials science ta221 Selective chemistry of single-walled nanotubes Nanotechnology Mechanical properties of carbon nanotubes 02 engineering and technology Carbon nanotube 010402 general chemistry FILMS BUNDLES 01 natural sciences law.invention TRANSPORT-PROPERTIES Condensed Matter::Materials Science Potential applications of carbon nanotubes law Physical and Theoretical Chemistry ta114 Condensed Matter::Mesoscopic Systems and Quantum Hall Effect 021001 nanoscience & nanotechnology 0104 chemical sciences Surfaces Coatings and Films Electronic Optical and Magnetic Materials Carbon nanotube field-effect transistor TRANSPARENT Carbon nanotube quantum dot Optical properties of carbon nanotubes General Energy Chemical physics TRANSISTORS 0210 nano-technology |
| Zdroj: | Journal of Physical Chemistry C. 121(8):4627-4634 |
| ISSN: | 1932-7447 |
| DOI: | 10.1021/acs.jpcc.6b11644 |
| Popis: | We have studied the effect of AuCl4 functionalization on the conductivity of carbon nanotube networks by first-principles electronic structure calculations. The functionalization results from treating carbon nanotube networks by dissolved AuCl3. Band structures and electronic transmission functions for single-walled semiconducting carbon nanotubes with physisorbed AuCl4 anions are computed using the density functional theory. The resulting p-type doping of nanotubes accompanied by a downshift of the Fermi level and balanced by negatively charged AuCl4 anions make the nanotubes metallic. Moreover, the influence of AuCl4 functionalization on the conductance of the junction between two semiconducting carbon nanotubes is considered. Increasing the AuCl4 coverage lowers the Fermi level rapidly until it is pinned by a van Hove singularity of the nanotube electronic structure. For these doping levels our calculations based on the density-functional nonequilibrium Green’s function method show a significant increa... |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|