Raman spectra of single-wall carbon nanotubes ~SWCNTs! were measured at different temperatures by varying the incident laser power. The elevated temperature of the SWCNTs and multiwall carbon nanotubes ~MWCNTs! is confirmed to be due to the presence of impurities, defects, and disorder. The temperature coefficient of the frequency of the C–C stretching mode E2g ~GM! and that of the radial breat...

Molecular dynamics simulation has been carried out to explore the configuration and quantity threshold of multiple graphene nanoribbons (GNRs) in single-walled carbon nanotube (SWCNT). The simulation results showed that several GNRs tangled together to form a perfect spiral structure to maximize the π-π stacking area when filling inside SWCNT. The formation of multiple helical configuration is ...

Composite polymeric scaffolds from alginate and single-walled carbon nanotube (SWCNT) were produced using a freeform fabrication technique. The scaffolds were characterized for their structural, mechanical, and biological properties by scanning electron microscopy, Raman spectroscopy, tensile testing, and cell-scaffold interaction study. Three-dimensional hybrid alginate/SWCNT tissue scaffolds ...

We studied two main bioactive molecules of oregano, carvacrol and thymol, in the present work. These conformers are linked to single wall carbon nanotubes (SWCNT) so-called functionalized SWCNT (f-SWCNT) find their application as anti-inflammatory drugs. use multiscale methods density functional theory (DFT) formalism achieve this aim. have proposed nanocarriers based on a finite size model met...

The grafting of drugs to the single-walled carbon nanotube (SWCNT) was attained by the initial conversion of carboxylic groups in SWCNT to corresponding acyl chlorides. The active acyl chlorides in SWCNT were subsequently mixed with chemotherapeutic agents having NH, NH2, and OH functional groups to afford the formation of relevant amide and ester, respectively. The covalently grafted drugs to ...

Functionalized single-walled carbon nanotube (SWCNT)-based chemiresistors are reported for a highly robust and sensitive gas sensor to selectively detect cyclohexanone, a target analyte for explosive detection. The trifunctional selector has three important properties: it noncovalently functionalizes SWCNTs with cofacial π-π interactions, it binds to cyclohexanone via hydrogen bond (mechanistic...

Abstract In the present paper, the stiffening effect of carbon nanotubes is quantitatively investigated by micromechanics methods. The Mori-Tanaka effective-field method is employed to calculate the effective elastic moduli of composites with aligned or randomly oriented straight nanotubes. In addition, the epoxy resin is modified experimentally by adding SWCNT with different ratio i.e 0, 0.1, ...

In this paper, we compare the behavior of liquid methanol confined by an open-ended single-walled nanotube (SWCNT) under four different simulation conditions by using the molecular dynamics (MD) simulations technique. The first model is a rigid and fixed SWCNT with all its carbon atoms fixed at their initial positions; the second is a flexible and fixed SWCNT with its centre-of-mass fixed at th...

Quantum effects should be considered in the thermal vibrations of carbon nanotubes (CNTs). To this end, molecular dynamics based on modified Langevin dynamics, which accounts for quantum statistics by introducing a quantum heat bath, is used to simulate the thermal vibration of a cantilevered single-walled CNT (SWCNT). A nonlocal elastic Timoshenko beam model with quantum effects (TBQN), which ...

Single-walled carbon nanotube (SWCNT) microarrays are successfully patterned on SiO(2) substrates based on an evaporation-induced self-assembly mechanism. On these SWCNT micropatterns, the highly electroactive polycrystalline Pt nanoparticles (PtNPs) are deposited by using the electrochemical method. The obtained PtNP-SWCNT nanocomposites exhibit a low detection limit for hydrogen peroxide (4 m...