In this work, the structural and electronic properties of folic acid molecule on functionalized (7,0)zigzag single-walled carbon nanotube was studied in gas phase on the basis of density functionaltheory (DFT). Furthermore, covalent interaction of folic acid with single-walled carbon nanotube wasinvestigated and its quantum molecular descriptors and binding energies were calculated. The DFTB3LY...

The generation process of a double-walled carbon nanotube (DWNT) from a “peapod” was studied by classical molecular dynamics simulation. Starting from a peapod structure, defined by five C60 molecules inside a (10,10) single-walled carbon nanotube (SWNT), polymerized fullerenes, a peanut-like structure and an almost nanotube-like structure were obtained under suitable conditions of temperature ...

The effects of processing conditions and apparent nanotube length on properties are investigated for carbon nanotube yarns obtained by solid-state drawing of an aerogel from a forest of multi-walled carbon nanotubes. Investigation of twist, false twist, liquid densification and combination methods for converting the drawn aerogel into dense yarn show that permanent twist is not needed for obtai...

Luttinger liquid theory predicts that collective electron excitations due to strong electron-electron interactions in a one-dimensional (1D) system will result in a modification of the collective charge-propagation velocity. By utilizing a circuit model for an individual metallic single-walled carbon nanotube as a nanotransmission line, it has been shown that the frequency-dependent terahertz i...

In the last years carbon nanotubes have attracted increasing attention for their potential applications in the biomedical field as diagnostic and therapeutic nano tools. Here we investigate the antimicrobial activity of different fully characterized carbon nanotube types (single walled, double walled and multi walled) on representative pathogen species: Gram-positive Staphylococcus aureus, Gram...

In this research, geometrical structures of armchair single walled boron nitride nanotube (SWBNNT) and armchair single walled aluminum nitride nanotube (SWAlNNT) were optimized by Density Functional Theory (DFT) in the gas phase, both having the same length of 5 angstrom and n=9, m=9. B3LYP/6-31G* level of theory have been used to determine and compare electronic properties, n...

In this research, geometrical structures of armchair single walled boron nitride nanotube (SWBNNT) and armchair single walled aluminum nitride nanotube (SWAlNNT) were optimized by Density Functional Theory (DFT) in the gas phase, both having the same length of 5 angstrom and n=9, m=9. B3LYP/6-31G* level of theory have been used to determine and compare electronic properties, n...

Articles you may be interested in Ultra-low thermal conductivities of hot-pressed attapulgite and its potential as thermal insulation material Appl. Effect of single-walled carbon nanotube purity on the thermal conductivity of carbon nanotube-based composites Appl.

Carbon nanotubes (CNTs) are allotropes of carbon with a cylindrical nanostructure. Nanotubes have been synthesized with length-to-diameter ratio of up to 132,000,000 : 1, which is significantly greater than any other material. These cylindrical carbon molecules have novel properties which make them potentially useful in many applications in nanotechnology, electronics, optics, and other fields ...

We have continued our efforts in the J. R. Macdonald Laboratory directed toward the study of electronic excitations and dynamics in carbon nanotubes excited by femtosecond pump-probe laser pulses generated by the ultra-fast Ti:Sapphire Kansas Light Source, KLS. We use time-of-flight of electrons emitted from carbon nanotubes to deduce the energy and temporal behavior of the electronic states of...