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...

The ozonization at the vacancy defect site of the single-walled carbon nanotube has been studied by static quantum mechanics and atom-centered density matrix propagation based ab initio molecular dynamics within a two-layered ONIOM approach. Among five different reaction pathways at the vacancy defect, the reaction involving the unsaturated active carbon atom is the most probable pathway, where...

the present study was carried out to investigate the potential of single-walled carbon nanotube (swcnts) and carboxylate group functionalized single-walled carbon nanotube (swcnt-cooh) as alternative adsorbents for the removal of basic red 46 (br 46) from contaminated water by using batch adsorption studies. effects of some key operating parameters such as ph, ionic strength and contact time on...

Measurements of the radial breathing modes from Raman Spectroscopy have been most useful in characterizing the diameters of single-wall carbon nanotubes (SWNT), where there is a simple monotonic relationship between frequency and diameter. Similar correlations have also been used to predict sizes for double and multiple wall nanotubes and for bundles of SWNT. However this can lead to significan...

This paper exploits the chirality-dependent optical properties of single-wall carbon nanotubes for applications in wavelength-selective photodetectors. We demonstrate that thin-film transistors made with networks of carbon nanotubes work effectively as light sensors under laser illumination. Such photoresponse was attributed to photothermal effect instead of photogenerated carriers and the conc...

Carrier transport characteristics in high-efficiency single-walled carbon nanotubes (SWNTs)/silicon (Si) hybrid solar cells are presented. The solar cells were fabricated by depositing intrinsic p-type SWNT thin-films on n-type Si wafers without involving any high-temperature process for p-n junction formation. The optimized cells showed a device ideality factor close to unity and a record-high...

Results are presented of in situ studies of the thermoelectric power and four-probe resistance of single-walled carbon nanotube films during the adsorption of cyclic hydrocarbons C(6)H(2n) (n=3-6). The size of the change in these transport parameters is found to be related to the pi electron population of the molecule, suggesting the coupling between these pi electrons and those in the nanotube...

In the liquid-based dip-coating, the hydrophilicity of a Si/SiO(2) substrate is found to be critical for the successful deposition of catalyst and hence the growth of single-walled carbon nanotubes (SWNTs). When the surface is functionalized by a self-assembled monolayer (SAM) and becomes hydrophobic, no catalyst remains and no SWNT grows. This concept can be utilized to localize the growth of ...

We have investigated the photoluminescence (PL) of in individual single-walled carbon nanotubes (SWNTs) placed in field-effect transistor structures to study carrier transport in the SWNT. The relation between the recombination lifetime and carrier transit time has been evaluated from the drain-field dependence of PL intensity. Time-resolved photoluminescence of SWNTs dispersed in surfactant so...

In spite of the outstanding properties of single-walled carbon nanotubes (SWNTs), the coexistence of metallic and semiconducting SWNTs as a result of synthesis has hindered their electronic and photonic applications. We demonstrate a pump-probe microscopy method for fast, contact-free mapping of metallicity in individual SWNTs. We employ the phase of transient absorption as a contrast to discri...