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The electronic and magnetic properties of carbon nanobuds have been investigated using density functional theory. The carbon nanobuds are formed by attaching smaller fullerenes (C20, C28, C36 and C40) of variable size with (5,5) ACNT and…
The extraordinary one-dimensional properties of carbon nanotubes have captivated scientists and engineers since their discovery in the early 1990s. In particular, semiconducting single-wall carbon nanotubes (SWCNTs) are highly promising for…
High performance nanocomposites require well dispersion and high alignment of the nanometer-sized components, at a high mass or volume fraction as well. However, the road towards such composite structure is severely hindered due to the easy…
Using Molecular Dynamics approach we investigated the structure, dynamics of water confined inside pristine and charged 6,6 carbon nanotubes (CNTs). This study reports the breakdown of 1D water wires and the emergence of triangular faced…
Physisorption studies and transmission electron microscopy have been used to characterise multi-walled carbon nanotubes (MWNTs) made by a template-synthesis technique. Microscopic investigations revealed formation of 'branched nanotubes'…
Well-known conductive molecular wires, like cumulene or polyyne, provide a model for interconnecting molecular electronics circuit. In the recent experiment, the appearance of carbon wire bridging two-dimensional electrodes - graphene…
Narrow carbon nanotubes (CNTs) desalinate water, mimicking water channels of biological membranes, yet the physics behind selectivity, especially, the effect of the membrane embedding CNTs on water and ion transfer, is still unclear. Here,…
Building smaller transistors with enhanced functionality is critical in extending the limits of Moores law and meeting the demands of the electronics industry. Here we demonstrate transistor operation in a suspended single carbon nanotube…
The inability to synthesize single-wall carbon nanotubes (SWCNTs) possessing uniform electronic properties and chirality represents the major impediment to their widespread applications. Recently, there is growing interest to explore and…
We present a first-principles study of semiconducting carbon nanotubes adsorbed on the unpassivated Si(100) surface. We have found metallicity for the combined system caused by n-doping of the silicon slab representing the surface by the…
Ability to encapsulate molecules is one of the outstanding features of nanotubes. The encapsulation alters physical and chemical properties of both nanotubes and guest species. The latter normally form a separate phase, exhibiting…
The equilibrium density of fluids under nanoconfinement can differ substantially from their bulk density. Using a mean-field approach to describe the energetic landscape near the carbon nanotube (CNT) wall, we obtain analytical results…
Using density functional calculations, we investigate the structural and magnetic properties of ultrathin Gd and Gd-carbide nanowires (NWs) encapsulated in narrow carbon nanotubes (CNTs). The equilibrium geometry of an encapsulated (2…
The electronic structure of a graphene sheet is altered when it is rolled up to form a single-walled carbon nanotube (SWCNT), and the curvature effects for small radius nanotubes become significant. In the paper, an analogue of the Bloch…
An investigation concerning the tautness of suspended carbon nanotubes (CNTs), grown using the chemical vapor deposition (CVD) method is presented. The suspended nanotubes were analyzed with both a transmission electron microscope (TEM),…
Elemental phosphorus nanostructures are notorious for a large number of allotropes, which limits their usefulness as semiconductors. To limit this structural diversity, we synthesize selectively quasi-1D phosphorus nanostructures inside…
Near-infrared electroluminescence from carbon-based emitters, especially in the second biological window (NIR-II) or at telecommunication wavelengths, is difficult to achieve. Single-walled carbon nanotubes (SWCNTs) have been proposed as a…
The magnetoconductance of p-n junctions formed in clean single wall carbon nanotubes is studied in the noninteracting electron approximation and perturbatively in electron-electron interaction, in the geometry where a magnetic field is…
In recent experiments, unprecedentedly large values for the conductivity of electrolytes through carbon nanotubes (CNTs) have been measured, possibly owing to flow slip and a high pore surface charge density whose origin is still unknown.…
Friction forces are conventionally modeled via semiclassical theories that associate energy dissipation with newtonian motion on corrugated interface potentials. This consolidated approach is challenged at the nanoscale by observation of…