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Polarized optical microscopy and spectroscopy are progressively becoming key methods for the high-throughput characterization of individual carbon nanotubes (CNTs) and other one-dimensional nanostructures, on substrate and in devices. The…
Carbon nanotubes are modeled as point particle configurations in the framework of Molecular Mechanics, where interactions are described by means of short range attractive-repulsive potentials. The identification of local energy minimizers…
Carbon nanotubes have emerged as a possible new material for electronic applications. They show promising characteristics for transistors as well as for interconnects. Here we review their basic properties and focus on the status of…
Efficient and controlled charge transport in networks of semiconducting single-walled carbon nanotubes is the basis for their application in electronic devices, especially in field-effect transistors and thermoelectrics. The recent advances…
The interlayer coupling, which has a strong influence on the properties of van der Waals heterostructures, strongly depends on the interlayer distance. Although considerable theoretical interest has been demonstrated, experiments exploiting…
Optical excitations of molecular systems can be modified by their physical environment. We analyze the underlying mechanisms within many-body perturbation theory, which is particularly suited to study non-local polarizability effects on the…
Electronic transport properties of carbon nanotubes are studied theoretically in the presence of external electric field E(t) by using the Boltzmann's transport with constant relaxation time. An analytical expression for the current…
We describe both pi-conjugated polymers and semiconducting single-walled carbon nanotubes because of the remarkable similarities in their behavior under photoexcitation. The common themes between these two seemingly different classes of…
According to band theory, an ideal undoped (n,n) carbon nanotube is metallic. We show that the electron-electron interaction causes it to become Mott insulating with a spin gap. More interestingly, upon doping it develops superconducting…
We consider ion transport through protein ion channels in lipid membranes and water-filled nanopores in silicon films. It is known that, due to the large ratio of dielectric constants of water and the surrounding material, an ion placed…
We use DFT to study the effect of molecular adsorbates on the conductance of metallic carbon nanotubes. The five molecules considered (NO2, NH2, H, COOH, OH) lead to similar scattering of the electrons. The adsorption of a single molecule…
By combining ab initio all-electron localized orbital and pseudopotential plane-wave approaches we report on calculations of the electron affinity (EA) and the ionization potential (IP) of (5, 5) and (7, 0) single-wall carbon nanotubes. The…
Carrier injection into carbon nanotubes and graphene nanoribbons, contacted by a metal coating over an arbitrary length, is studied by various means: Minimal models allow for exact analytic solutions which can be transferred to the original…
We investigate theoretically the efficiency of intra-molecular hot carrier induced impact ionization and excitation processes in carbon nanotubes. The electron confinement and reduced screening lead to drastically enhanced excitation…
We present a tight binding theory to analyze the motion of electrons between carbon nanotubes bundled into a carbon nanotube rope. The theory is developed starting from a description of the propagating Bloch waves on ideal tubes, and the…
Novel applications in nanotechnology rely on the design of tailored nano-architectures. For this purpose, carbon nanotubes and nanoparticles are intensively investigated. In this work we study the influence of non-functionalized carbon…
This letter reports a charge transfer p-doping scheme which utilizes one-electron oxidizing molecules to obtain stable, unipolar carbon nanotube transistors with a self-aligned gate structure. This doping scheme allows one to improve…
Metal catalysts supporting the growth of Single Wall Carbon Nanotubes display different carbon solubilities and chemical reactivities. In order to specifically assess the role of carbon solubility, we take advantage of the physical…
The directed self-assembly of colloidal nanoparticles (NPs) using external fields guides the formation of sophisticated hierarchical materials but becomes less effective with decreasing particle size. As an alternative, electron-beam-driven…
The curvature effects in carbon nanotubes are studied analytically as a function of chirality. The pi-orbitals are found to be significantly rehybridized in all tubes, so that they are never normal to the tubes' surface. This results in a…