相关论文: Hydroxyl vacancies in single-walled aluminosilicat…
Plasmonic nanoantennas, the properties of which are essentially determined by their resonance modes, are of interest both fundamentally and for various applications. Antennas with various shapes, geometries and compositions have been…
We have theoretically investigated the electromechanical properties of a freely suspended carbon nanotube that is connected to a constant-current source and subjected to an external magnetic field. We show that self-excitation of mechanical…
Oxygen vacancies at the SnO2(110) and (101) surface and subsurface sites have been studied in the framework of density functional theory by using both all-electron Gaussian and pseudopotential plane-wave methods. The all-electron…
Band gap tuning and dielectric properties of small organic ligands adsorbed on bidimensional germanium monolayers (germanene) have been investigated using first-principles calculations. We show that the adsorption of these small groups…
We present a general framework to explore thermally activated failures in quasi one dimensional systems. We apply it to the collapse of carbon nanotubes, the formation of bottlenecks in nanowires, both of which limit conductance, and the…
Carbon nanotubes are nano-objects with quite anisotropic properties, for example the mechanical properties in longitudinal and radial directions differ significantly. This feature of the carbon nanotubes yields many interesting phenomena…
We study the effect of various configurations of vacancies on the magnetic properties of graphene nanoflake (GNF) with screened realistic long-range electron interaction [T. O. Wehling, et. al., Phys. Rev. Lett. 106, 236805 (2011)] within…
We investigate experimentally the transport properties of single-walled carbon nanotube bundles as a function of temperature and applied current over broad intervals of these variables. The analysis is performed on arrays of nanotube…
Semiconducting single-walled carbon nanotubes show extraordinary electronic and optical properties, such as high charge carrier mobilities and diameter-dependent near-infrared photoluminescence. The introduction of sp3 defects in the carbon…
In this work, we have systematically studied structural, electronic and magnetic properties of atomic scale defects in 2D transition metal dichalcogenides MX$_2$, (M = Mo and W; X = S, Se and Te) by density functional theory. Various types…
quasi-one-dimensional (1D) titania nanostructures - single-walled nanotubes formed by rolling [101] planes of TiO$_2$ (anatase phase) are modeled and their electronic properties and bond orders indices are studied using the tight-binding…
One-dimensional (1D) van der Waals heterostructures based on carbon nanotube templates are raising a lot of excitement due to the possibility of creating new optical and electronic properties, by either confining molecules inside their…
We report that ice nanotubes with odd number of side faces inside carbon nanotubes exhibit spontaneous electric polarization along its axes direction by using molecular dynamics simulations. The mechanism of this nanoscale…
Resistivity saturation is found on both superconducting and insulating sides of an "avoided" magnetic-field-tuned superconductor-to-insulator transition (H-SIT) in a two-dimensional In/InO$_x$ composite, where the anomalous metallic…
Three terminal single-electron transistor devices utilizing Al/Al2O3 gate electrodes were developed for the study of electron transport through individual single-molecule magnets. The devices were patterned via multiple layers of optical…
The electronic structure evolution of deficient halide perovskites with a general formula $(A,A')_{1+x}M_{1-x}X_{3-x}$ was investigated using the density functional theory. The focus is placed on characterization of changes in the band gap,…
Helical edge states appear at the surface of two dimensional topological insulators and are characterized by spin up traveling in one direction and the spin down traveling in the opposite direction. Such states are protected by time…
Utilizing the line-group symmetry of single-wall nanotubes, we have assigned their electron-energy bands by the symmetry-based quantum numbers. The selection rules for optical absorption are presented in terms of these quantum numbers.…
Over the past ten years, self-aligned TiO2 nanotubes have attracted tremendous scientific and technological interest due to their anticipated impact on energy conversion, environment remediation and biocompatibility. In the present…
We investigate the effect of thermal fluctuations on the mechanical properties of nanotubes by employing tools from statistical physics. For 2D sheets it was previously shown that thermal fluctuations effectively renormalize elastic moduli…