Search results for "Optical properties"
showing 10 items of 102 documents
Ab initio simulations on N and S co-doped titania nanotubes for photocatalytic applications
2015
In this paper we present the results of quantum chemical modeling for energetically stable anatase (001) TiO2 nanotubes, undoped, doped, and codoped with N and S atoms. We calculate the electronic structure of one-dimensional (1D) nanotubes and zero-dimensional (0D) atomic fragments cut out from these nanotubes, employing hybrid density functional theory with a partial incorporation of an exact, nonlocal Hartree–Fock exchange within the formalism of the linear combination of atomic orbitals, as implemented in both CRYSTAL and NWChem total energy codes. Structural optimization of 1D nanotubes has been performed using CRYSTAL09 code, while the cut-out 0D fragments have been modelled using the…
Electronic properties of single-walled carbon nanotubes inside cyclic supermolecules
2006
Possible ways for manipulating carbon nanotubes (CNTs) with cyclic supermolecules are studied using density functional theory. Electronic structure calculations with structure optimizations have been performed for the (4,4) and (8,0) single-walled carbon nanotubes (SWNTs) complexed with crown ethers as well as for the (4,0) SWNT with beta-cyclodextrin. A slight polarization of charge in both the nanotube and the supermolecule is observed upon rotaxane complexation, but the interaction is mainly repulsive, and the systems stay 2.8-3.5 A apart. The supermolecule does not affect the electronic band structure of the nanotube significantly within such a configuration. The situation differs notic…
Controlling electrical percolation in multicomponent carbon nanotube dispersions
2011
Carbon nanotube reinforced polymeric composites can have favourable electrical properties, which make them useful for applications such as flat-panel displays and photovoltaic devices. However, using aqueous dispersions to fabricate composites with specific physical properties requires that the processing of the nanotube dispersion be understood and controlled while in the liquid phase. Here, using a combination of experiment and theory, we study the electrical percolation of carbon nanotubes introduced into a polymer matrix, and show that the percolation threshold can be substantially lowered by adding small quantities of a conductive polymer latex. Mixing colloidal particles of different …
Launching propagating surface plasmon polaritons by a single carbon nanotube dipolar emitter.
2011
International audience; We report on the excitation of propagating surface plasmon polaritons in thin metal films by a single emitter. Upon excitation in the visible regime, individual semiconducting single-walled carbon nanotubes are shown to act as directional near-infrared point dipole sources launching propagating surface plasmons mainly along the direction of the nanotube axis. Plasmon excitation and propagation is monitored in Fourier and real space by leakage radiation microscopy and is modeled by rigorous theoretical calculations. Coupling to plasmons almost completely reshapes the emission of nanotubes both spatially and with respect to polarization as compared to photoluminescence…
Surfactant-Dependent Exciton Mobility in Single-Walled Carbon Nanotubes Studied by Single-Molecule Reactions
2010
Measurements of stepwise photoluminescence quenching in individual, (n,m)-selected single-walled carbon nanotubes (SWCNTs) undergoing chemical reaction have been analyzed to deduce mobilities of optically generated excitons. For (7,5) nanotubes, the mean exciton range varies between approximately 140 and 240 nm for different surfactant coatings and correlates weakly with nanotube PL intensity. The results are consistent with a model of localized SWCNT excitons having substantial diffusional mobility along the nanotube axis.
In situ nucleation of carbon nanotubes by the injection of carbon atoms into metal particles.
2007
The synthesis of carbon nanotubes (CNTs) of desired chiralities and diameters is one of the most important challenges in nanotube science and achieving such selectivity may require a detailed understanding of their growth mechanism. We report the formation of CNTs in an entirely condensed phase process that allows us, for the first time, to monitor the nucleation of a nanotube on the spherical surface of a metal particle. When multiwalled CNTs containing metal particle cores are irradiated with an electron beam, carbon from graphitic shells surrounding the metal particles is ingested into the body of the particle and subsequently emerges as single-walled nanotubes (SWNTs) or multiwalled nan…
Stability of carbon nanotubes under electron irradiation: Role of tube diameter and chirality
2005
As recent experiments demonstrate, the inner shells of multiwalled carbon nanotubes are more sensitive to electron irradiation than the outer shells. To understand the origin of such counterintuitive behavior, we employ a density-functional-theory based tight-binding method and calculate the displacement threshold energies for carbon atoms in single-walled nanotubes with different diameters and chiralities. We show that the displacement energy and the defect production rate strongly depend on the diameter of the nanotube and its chirality, with the displacement energy being lower, but saturating towards the value for graphite when the tube diameter increases. This implies that the threshold…
Quantum Transport and Current Distribution at Radio Frequency in Multiwall Carbon Nanotubes
2012
Multiwall carbon nanotubes represent a low-dimensional material that could serve as building blocks for future carbon-based nanoelectronics. The understanding of the electromagnetic performances at radio frequency of these materials for use in nanointerconnects is strictly related to the analysis of their transport properties as function of the working conditions. In this paper, we present an explicit expression of the conducting channels as function of diameter, temperature, doping, and supply voltage for both metallic and semiconducting carbon nanotubes. The proposed formula is based on the Dirac cone approximation of the conducting band energy of graphene nearby the Fermi points, combine…
Optical characterization of YCa4O(BO3)3 and Nd:YCa4O(BO3)3 crystals
2007
International audience; We report a complete optical characterization of YCa4O(BO3)3 and Nd:YCa4O(BO3)3 crystals. We studied the relative orientation between the dielectric and the crystallographic frames as a function of the wavelength and performed accurate phase-matching angles measurements for second harmonic generation, using a single crystal cut as a sphere. We also recorded polarized luminescence spectra of Nd:YCOB along the principal axes of the dielectric frame. For both crystals, we measured the gray-tracking and the thermo-optic properties as a function of temperature and wavelength using oriented slabs. Finally, we measured all their dielectric and electro-optic coefficients, as…
Measurement of South Pole ice transparency with the IceCube LED calibration system
2013
The IceCube Neutrino Observatory, approximately 1 km^3 in size, is now complete with 86 strings deployed in the Antarctic ice. IceCube detects the Cherenkov radiation emitted by charged particles passing through or created in the ice. To realize the full potential of the detector, the properties of light propagation in the ice in and around the detector must be well understood. This report presents a new method of fitting the model of light propagation in the ice to a data set of in-situ light source events collected with IceCube. The resulting set of derived parameters, namely the measured values of scattering and absorption coefficients vs. depth, is presented and a comparison of IceCube …