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...

magnetic force microscope ( mfm ) is a powerful technique for mapping the magnetic force gradient above the sample surface. herein, single-wall carbon nanotubes (swcnt) were used to fabricate mfm probe by dielectrophoresis method which is a reproducible and cost-effective technique. the effect of induced voltage on the deposition manner of carbon nanotubes (cnt) on the atomic force microscope (...

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...

We developed a simple, ultrasensitive, and quantitative detection method for the reduced form of nicotinamide adenine dinucleotide (NADH), based on carbon nanotube field effect transistors (CNTFETs). Following the injection of NADH at different concentrations, we obtained different electrical signals from a semiconductor characterization system mimicking biological catalysis of NADH dehydrogena...

The geometries, chemical shifts, aromaticity, and reactivity of finite-length open-ended armchair single-walled carbon nanotubes (SWCNTs) have been studied within density functional theory. The widely used model of capping hydrogen atoms at the open ends of a SWCNT changes the chemical activity of the SWCNT and destabilizes the frontier molecular orbitals. The edge pi-orbital of the open ends e...

A hierarchical structure is an assembly with a multi-scale morphology and with a large and accessible surface area. Recent advances in nanomaterial science have made increasingly possible the design of hierarchical surfaces with specific and tunable properties. Here, we report the fractal analysis of hierarchical single-walled carbon nanotube (SWCNT) films realized by a simple, rapid, reproduci...

One aspect of carbon nanotube (CNT) synthesis that remains an obstacle to realize industrial mass production is the growth efficiency. Many approaches have been reported to improve the efficiency, either by lengthening the catalyst lifetime or by increasing the growth rate. We investigated the applicability of dwell time and carbon flux control to optimize yield, growth rate, and catalyst lifet...

Abstract We investigated the origin of n-type thermoelectric properties in single-wall carbon nanotube (SWCNT) films with anionic surfactants via experimental analyses and first-principles calculations. Several types were employed to fabricate SWCNT drop-casting, followed by heat treatment at various temperatures. In particular, sodium dodecylbenzene sulfonate (SDBS) surfactant heated 350 °C ex...

Introduction of defects via ion irradiation ex situ to modify silver/single-wall carbon nanotube (Ag-SWCNT) electrical contacts and the resulting changes in the electrical properties were studied. Two test samples were fabricated by depositing 0.1 μm Ag onto SWCNT thin films with average thicknesses of 10 and 60 nm, followed by ion irradiation (150 keV 11B+ at 5 × 1014 ions/cm2). The contact re...

Gas diffusion electrode was used for providing better conditions in fuel cell systems for oxygen reduction reaction (ORR). Because the slow kinetics of the oxygen reduction reaction at the proton exchange membrane fuel cell cathode restricts fuel cell efficiency. To this end, researchers have used platinum-coated carbon. In the present study, due to the reduction of carbon corrosion, Zinc oxide...