Related papers: Unexpected Spontaneously Dynamic Oxygen Migration …
The interface chemistry of silicon nanocrystals (NCs) embedded in amorphous oxide matrix is studied through molecular dynamics simulations with the chemical environment described by the reactive force field model. Our results indicate that…
The complete energy expression of a deformed single-walled carbon nanotube (SWNT) is derived in the continuum limit from the local density approximation model proposed by Lenosky {\it et al.} \lbrack Nature (London) {\bf 355}, 333…
In this work, we report a theoretical coupled study of the structural and phonons properties of bundled single- and double-walled carbon nanotubes (DWNTs), under hydrostatic compression. Our results confirm drastic changes in volume of…
Molecular dynamics simulations of sorbates of different sizes confined to the interior of carbon nanotubes are reported. The mean squared displacement shows gradual change from diffusive for small sorbates to superdiffusive for intermediate…
Organic electrochemical transistors (OECTs) have the potential to revolutionize the field of organic bioelectronics. To date, most of the reported OECTs include p-type (semi-)conducting polymers as the channel material, while n-type OECTs…
The transport properties of quantum dot (QD) systems based on double-walled carbon nanotube (DWCNT) are investigated. The interplay between microscopic structure and strong Coulomb interaction is treated within a bosonization framework. The…
Interwall interaction energies of double-walled nanotubes (DWNTs) with long inner and short outer walls are calculated as functions of coordinates describing relative rotation and displacement of the walls using van der Waals corrected…
In the last decade, a large number of studies at the experimental level in electrochemical systems for energy storage devices have been performed. However, theoretical approaches are highly desirable to understand the physicochemical…
We experimentally investigate how aerotactic bacteria, confined within a thin liquid film between two solid substrates, respond to a controlled oxygen gradient. We find that the total bacterial number density dictates which mechanism…
Jumping of coalescing condensate droplets from superhydrophobic surfaces is an interesting phenomenon which yields marked heat transfer enhancement over the more explored gravity-driven droplet removal mode in surface condensation, a phase…
Energy barrier of oxygen molecule dissociation on carbon nanotube or graphene with different types of nitrogen doping is investigated using density functional theory. The results show that the energy barriers can be reduced efficiently by…
Recent conductance measurements on multi-wall carbon nanotubes (CNTs) reveal an effective behavior similar to disordered single-wall CNTs. This is due to the fact that electric current flows essentially through the outermost shell and is…
We study quantum optical properties of the single-walled carbon nanotube (SWCNT) by introducing the effective interaction between the quantized electromagnetic field and the confined electrons in the SWCNT. Our purpose is to explore the…
The rheological and electrical properties of suspensions of carbon nanotubes in an uncured epoxy resin were investigated by means of shear rheology and impedance spectroscopy. It was found that above an onset CNT weight fraction (0.1 wt %),…
We theoretically investigate the impact of the electrothermal flow on the dielectrophoretic separation of single-walled carbon nanotubes (SWNT). The electrothermal flow is observed to control the motions of semiconducting SWNTs in a…
The strain energies in straight and bent single-walled carbon nanotubes (SWNTs) are calculated by taking account of the total energy of all the occupied band electrons. The obtained results are in good agreement with previous theoretical…
The self-assembly mechanism of one-end-open carbon nanotubes (CNTs) suspended in an aqueous solution was studied by molecular dynamics simulations. It was shown that two one-end-open CNTs with different diameters can coaxially self-assemble…
The magnetotransport properties were studied in hundreds of micrometer length double-wall carbon nanotubes (DWCNT) bundles. Above 15 K the resistance shows an ohmic behavior and its temperature dependence is well described using the…
Doping substantially influences the electronic and photophysical properties of semiconducting single-wall carbon nanotubes (s-SWNTs). Although prior studies have noted that surplus charge carriers modify optical spectra and accelerate…
The results of DFT supercell calculations of oxygen behavior upon the UN (001) and (110) surfaces as well as at the tilt grain boundary are presented. Oxygen adsorption, migration, incorporation into the surface N vacancies on (001) and…