Molecular dynamic simulation method has been employed to consider the critical buckling force, pressure, and strain of pristine and defected single-walled carbon nanotube (SWCNT) under axial compression. Effects of length, radius, chirality, Stone-Wales (SW) defect, and single vacancy (SV) defect on buckling behavior of SWCNTs have been studied. Obtained results indicate that axial stability of...

We report on passive mode-locking of a Ti:sapphire laser employing a single-walled carbon nanotube saturable absorber (SWCNT-SA) specially designed and fabricated for wavelengths near 800 nm. Mode-locked pulses as short as 62 fs were generated at a repetition rate of 99.4 MHz. We achieved output powers from the SWCNT-SA mode-locked laser as high as 600 mW with a slope efficiency of 26%. The cha...

in this study, we have investigated radius dependence of hydrogen storage within armchair (n,n) single walled carbon nanotubes (swcnt) in a square arrays. to this aim, we have employed equilibrium molecular dynamics (md) simulation. our simulations results reveal that radius of carbon nanotubes are an important and influent factor in hydrogen distribution inside carbon nanotubes and consequentl...

Despite the potentials and the efforts put in the development of uncooled carbon nanotube infrared detectors during the past two decades, their figure-of-merit detectivity remains orders of magnitude lower than that of conventional semiconductor counterparts due to the lack of efficient exciton dissociation schemes. In this paper, we report an extraordinary photocurrent harvesting configuration...

First principles calculations were carried out for investigation the novel 7-hydroxycoumarinyl gallates derivatives in gas and liquid phases using density functional theory (DFT) method. Computational chemistry simulations were carried out to compare calculated quantum chemical parameters for gallates derivatives. All calculations were performed using DMol3 code which is based on DFT. The Doubl...

Single-walled carbon nanotube (SWCNT) fibers were engineered to become a scaffold for the storage of hydrogen. Carbon nanotube fibers were swollen in oleum (fuming sulfuric acid), and organic spacer groups were covalently linked between the nanotubes using diazonium functionalization chemistry to provide 3-dimensional (3-D) frameworks for the adsorption of hydrogen molecules. These 3-D nanoengi...

In this work, we present the experimental investigation on the contact resistance of graphene/single-walled carbon nanotube (SWCNT) junction using transfer length method with the simple equivalent circuit model. We find that p-n like junctions are formed in graphene/SWCNT transistors, and the contact resistance in the junction is observed to be ~ 494 and ~ 617 kΩ in case of metallic SWCNT (m-SW...

The properties of a nanotube, such as the hydrophobicity and charge of the surface, can significantly affect water transport behavior. However, our knowledge of the effects of charge density, dipole orientation, frequency of flipping, and movement behavior on water flow through carbon nanotubes (CNTs) is far from adequate. This study is aimed at gaining insight into the transport of single-file...

While nanowires and nanotubes have been shown to be electrically sensitive to various chemicals, not enough is known about the underlying mechanisms to control or tailor this sensitivity. By limiting the chemically sensitive region of a nanostructure to a single binding site, single molecule precision can be obtained in order to study the chemoresistive response. We have developed techniques us...

oniom calculation is carried out to estimate the acidity of five aliphatic alcohols before and after adsorbing on the tip of (8,0) single-walled carbon nanotube. the oniom method is performed using a combination of density functional theory and am1 semiemperical method for alcohols and their corresponding conjugated bases. deprotonation gibbs free energies of alcohols are calculated and compare...