adsorption of co2 on the surface of single-wall zigzag (5,0) and armchair (4,4) carbon nanotubes (swcnts) were studied through using density functional theory (dft) calculations. optimizations of geometric were performed at the b3pw91 level of 6-311++g** method standard basis set using gaussian 03 package of program [1]. structural models were optimized and adsorption energies, band gap, charge...

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...

Adsorption of CO2 on the surface of Single-wall zigzag (5,0) and armchair (4,4) carbon nanotubes (SWCNTs) were studied through using density functional theory (DFT) calculations. Optimizations of geometric were performed at the B3PW91 level of 6-311++G** method standard basis set using GAUSSIAN 03 package of program [1]. Structural models were optimized and adsorption energies, band gap, charge...

Adsorption of CO2 on the surface of Single-wall zigzag (5,0) and armchair (4,4) carbon nanotubes (SWCNTs) were studied through using density functional theory (DFT) calculations. Optimizations of geometric were performed at the B3PW91 level of 6-311++G** method standard basis set using GAUSSIAN 03 package of program [1]. Structural models were optimized and adsorption energies, band gap, charge...

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 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...

The temperature dependence of optical excitation lifetime 1/ and transition energies Eii were measured for bucky papers of single-wall carbon nanotubes SWCNTs and inner tubes in double-wall carbon nanotubes DWCNTs using resonant Raman scattering on the radial breathing mode. The temperature dependence of and Eii is the same for both types of samples and is independent of tube chirality. The dat...

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...

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...

SINGLE-WALLED CARBON NANOTUBE BUCKYPAPERS AS ELECTROCATALYST SUPPORTS FOR METHANOL OXIDATION J.M. Sieben, A. Ansón-Casaos, M.T. Martínez, E. Morallón a Departamento de Química Física and Instituto Universitario de Materiales, Universidad de Alicante, Ap. 99 Alicante, Spain. b Instituto de Carboquímica, CSIC, Miguel Luesma 4, 50018 Zaragoza, Spain. Abstract This work studies the use of various s...