Electronic excitations of double-walled armchair carbon nanotubes
نویسندگان
چکیده
The low-frequency electronic excitations in double-walled armchair carbon nanotubes are studied within the random-phase approximation. The intertube atomic overlaps significantly affect the low-energy bands and thus enrich the low-frequency single-particle excitations and collective excitations. They induce more plasmon modes, reduce the plasmon strength, and change acoustic plasmons into optical plasmons. The predicted results could be verified by the electron-energy-loss spectroscopy. r 2006 Elsevier B.V. All rights reserved. PACS: 71.45.Gm; 73.20Mf; 73.20.Mf; 73.20.Dx
منابع مشابه
A First-Principles Study on Interaction between Carbon Nanotubes (10,10) and Gallates Derivatives as Vehicles for Drug Delivery
First principles calculations were carried out for investigation the novel 7-hydroxycoumarinyl gallates derivatives in gas and liquid phases using density functional theory (DFT) method. Computational chemistry simulations were carried out to compare calculated quantum chemical parameters for gallates derivatives. All calculations were performed using DMol3 code which is based on DFT. The Doubl...
متن کاملElectronic Excitations and Dynamics in Carbon Nanotubes Induced by Femtosecond Pump-Probe LASER Pulses
We have continued our efforts in the J. R. Macdonald Laboratory directed toward the study of electronic excitations and dynamics in carbon nanotubes excited by femtosecond pump-probe laser pulses generated by the ultra-fast Ti:Sapphire Kansas Light Source, KLS. We use time-of-flight of electrons emitted from carbon nanotubes to deduce the energy and temporal behavior of the electronic states of...
متن کاملNBO analysis and theoretical thermodynamic study of (5,5) & (6,6) armchair carbon nanotubes via DFT method
In the present work, the structural and electronic properties, and conductivity of (5,5) and (6,6) Single Walled Carbon Nanotubes in the ground state have done by using the Hartree-Fock and density functional theory DFT-B3LYP/6-31G* level. Delocalization of charge density between the bonding or lone pair and antibonding orbitals calculated by NBO (natural bond orbital) analysis. These methods a...
متن کاملNBO analysis and theoretical thermodynamic study of (5,5) & (6,6) armchair carbon nanotubes via DFT method
In the present work, the structural and electronic properties, and conductivity of (5,5) and (6,6) Single Walled Carbon Nanotubes in the ground state have done by using the Hartree-Fock and density functional theory DFT-B3LYP/6-31G* level. Delocalization of charge density between the bonding or lone pair and antibonding orbitals calculated by NBO (natural bond orbital) analysis. These methods a...
متن کاملFunctionalization of the Single-walled Carbon Nanotubes by Sulfur Dioxide and Electric Field Effect, a Theoretical Study on the Mechanism
In this study, kinetics and mechanism of the sulfur dioxide adsorption on the single-walled carbon nanotubes (CNT) are investigated. Three single-walled carbon nanotubes, including the armchair (6,6), chiral (6,5) and zigzag (6,0) CNTs were chosen as the models and the different orientations of SO2 molecule relative to the CNT axis were considered. The B3LYP functional within the 6-3...
متن کامل