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We demonstrate a novel cross-sectional deformation, called the radial corrugation, of multi-walled carbon nanotubes (MWNTs) under hydrostatic pressure. Theoretical analyses based on the continuum elastic approximation have revealed that…
We show that the performance of pentacene transistors can be significantly improved by maximizing the interfacial area at single walled carbon nanotube (SWCNT)/pentacene. The interfacial areas are varied by anchoring short SWCNTs of…
The covalent functionalization of single-walled carbon nanotubes (SWNTs) with luminescent oxygen defects increases their brightness and enables their application as optical biosensors or fluorescent probes for in-vivo imaging in the…
The current study presents the natural vibrations of single-walled carbon nanotubes (SWCNTs) using the nonlocal theory of elasticity. The study will help to develop nanodevices. The study focuses on the natural vibrations of curved or…
A 1 $\mu$m long, field emitting, (5,5) single-walled, carbon nanotube (SWCNT) closed with a fullerene cap, and a similar open nanotube with hydrogen-atom termination, have been simulated using the MNDO (Modified Neglect of Diatomic Overlap)…
Recently (PRL 96, 106804 (2006)) it was suggested that cobaltocene(CC) molecules encapsulated into (7,7) carbon nanotubes (CNT@(7,7)) could be the basis for new spintronic devices. We show here based on impact molecular dynamics and DFT…
The spontaneous decay of an excited state of an emitter placed in the vicinity of a metallic single-wall carbon nanotube (SWNT) was examined theoretically. The emitter-SWNT coupling strongly depends on the position of the emitter relative…
We investigate quantum transport in aligned carbon nanotube (CNT) fibers fabricated via solution spinning, focusing on the roles of structural dimensionality and quantum interference effects. The fibers exhibit metallic behavior at high…
The friction between concentric carbon nanotubes sliding one inside the other has been widely studied and simulated, but not so far using external force as the driving variable. Our molecular dynamics (MD) simulations show that as the…
This study employs molecular dynamics simulations to examine the physisorption behavior of hydrocarbon molecules on a covalent graphene-nanotube hybrid nanostructure. The results indicate that the adsorbed molecules undergo self-diffusion…
Nanotube patterning may occur naturally upon the spontaneous self-assembly of biomolecules onto the surface of single-walled carbon nanotubes (SWNTs). It results in periodically alternating bands of surface properties, ranging from…
Photovoltaics has two main processes: Optical absorption and power conversion. In photosynthesis, the two equivalent processes are optical absorption and chemical conversion. Whereas in the latter, the two processes are carried out by…
Structure transformation by heat treatment in single-walled carbon nanotubes (SWCNT) is investigated using molecular dynamics simulation. The critical temperature for the collapse of pure SWCNT is as high as 4655 K due to strong covalent…
Carbon nanotube field-effect transistors operate over a wide range of electron or hole density, controlled by the gate voltage. Here we calculate the mobility in semiconducting nanotubes as a function of carrier density and electric field,…
We present a density functional theory study on the shape and arrangement of small BN domains embedded into single-walled carbon nanotubes. We show a strong tendency for the BN hexagons formation at the simultaneous inclusion of B and N…
Reducible oxides are widely used catalyst supports that can increase oxidation reaction rates by transferring their lattice oxygen at the metal-support interface. The interfacial oxidation process is typically described in terms of a…
We present new data and a compact mobility model for single-wall carbon nanotubes, with only two adjustable parameters, the elastic and inelastic collision mean free paths at 300 K. The mobility increases with diameter, decreases with…
In this article, we show that it is possible to differentiate between water adsorbed on the outside of a single-walled carbon nanotube and that confined inside. To this aim, we measured the electronic transport of a carbon nanotube based…
Given the high potential for applications utilizing the unique properties of single-walled carbon nanotubes (SWCNTs), there is considerable enthusiasm for addressing the challenges associated with synthesizing SWCNTs with specific…
The electrolysis of CO$_2$ in molten carbonate has been introduced as an alternative mechanism to synthesize carbon nanomaterials inexpensively at high yield. Until recently, CO$_2$ was thought to be unreactive, making its removal a…