相关论文: Polarons in Carbon Nanotubes
From electronic structure calculations, we find that carriers injected into dangling-bond atomic wires on the Si(001) surface will self-trap to form localised polaron states. The self-trapping distortion takes the form of a local…
Recent fluorescence spectroscopy experiments on single wall carbon nanotubes reveal substantial deviations of observed absorption and emission energies from predictions of noninteracting models of the electronic structure. Nonetheless, the…
Bipolaron energies are calculated as a function of wave vector by a variational method of Gurari appropriate for weak or intermediate coupling strengths, for a model with electron-phonon interactions independent of phonon wave vectors and a…
Linear and nonlinear optical properties of low dimensional nanostructures have attracted a large interest in the scientific community as tools to probe the strong confinement of the electrons and for possible applications in optoelectronic…
Motivated by the possibility of combining spintronics with molecular structures, we investigate the conditions for the appearance of spin-polarization in low-dimensional tubular systems by contacting them to a magnetic substrate. We derive…
Transport through carbon nanotube (CNT) quantum dots (QDs) in a magnetic field is discussed. The evolution of the system from the ultraviolet to the infrared is analyzed; the strongly correlated (SC) states arising in the infrared are…
Carbon nanotubes (CTNs) with large aspect-ratios are extensively used to establish electrical connectedness in polymer melts at very low CNT loadings. However, the CNT size polydispersity and the quality of the dispersion are still not…
In the first part of the thesis we will describe double excitations in the absorption spectrum. Double excitations are a peculiar effect of interacting systems which does not have a counterpart in non-interacting ones. The optical…
We investigate vibration modes and their Raman activity of single-walled carbon nanotubes that are bent within their intrinsic elastic limits. By implementing novel boundary conditions for density-functional based tight-binding, and using…
We propose a strategy that uses a tunable laser and an alternating non-linear potential to sort a suspension of assorted semiconducting nanotubes. Since, a polarized exciton is a dipole, the excited nanotubes will experience a net force and…
The dependence of the energy of interwall interaction in double-walled carbon nanotubes (DWNT) on the relative position of walls has been calculated using the density functional method. This dependence is used to evaluate forces that are…
The high-bias electrical transport properties of suspended metallic single-walled carbon nanotubes (SWNTs) are investigated at various temperatures in vacuum, in various gases and when coated with molecular solids. It is revealed that…
We show that quantum confinement in the valence and conduction bands of semiconducting single-walled carbon nanotubes can be engineered by means of artificial defects. This ability holds potential for designing future nanotube-based quantum…
A simple formula for coordinates of carbon atoms in a unit cell of a single-walled nanotube (SWNT) is presented and the potential of neon (Ne) inside an infinitely long SWNT is analytically derived under the assumption of pair-wise…
The electronic spectra of long carbon nanotubes (CNTs) can, to a very good approximation, be obtained using the dispersion relation of graphene with both angular and axial periodic boundary conditions. In short CNTs one must account for the…
Polaronic features similar to those previously observed in the photoinduced spectra of cuprates have been detected in the reflectivity spectra of chemically doped parent compounds of high-critical-temperature superconductors, both $n$-type…
The effects of edge chemistry on the relative stability and electronic properties of zigzag boron nitride nanoribbons (ZBNNRs) are investigated. Among all functional groups considered, fully hydroxylated ZBNNRs are found to be the most…
Controlling the effects of photoexcited polarons in transition metal oxides can enable the long timescale charge separation necessary for renewable energy applications as well as controlling new quantum phases through dynamically tunable…
A polaron is an electron interacting with a polar crystal, which is able to form a bound state by using the distortions of the crystal induced by its own density of charge. In this paper we derive Pekar's famous continuous model for…
Using Coulomb correlation parameters appropriate for $\pi$-conjugated polymers (PCPs), and a nearest neighbor hopping integral that is arrived at by fitting the energy spectra of three zigzag semiconducting single-walled carbon nanotubes…