相关论文: Chirality-Dependent Kinetics of Single-Walled Carb…
I demonstrate a directional motion-transmission behavior of aligned carbon nanotubes (CNTs) using atomistic simulations. The network of overlapping $\pi$ orbitals at the interface act as gear teeth to translate the sliding motion of a CNT…
The electronic properties of carbon nanotubes are governed by their chirality, specified by the integer indices (n,m). While chirality-controlled synthesis has achieved notable successes, theoretical understanding remains predominantly…
A simple model for the nucleation and growth of single wall carbon nanotubes from a graphene sheet at the surface of a metallic catalyst saturated in carbon is developed. It enables to predict the geometry and energy of tube embryos of all…
In this paper, we provide a detailed expression of the vibrational potential for the lattice dynamics of the single-wall carbon nanotubes (SWCNT) satisfying the requirements of the exact rigid translational as well as rotational symmetries,…
Structure transformation by heat treatment in single-walled carbon nanotubes (SWCNT) is investigated using molecular dynamics simulation. The critical temperature for the collapse of pure SWCNT is as high as 4655 K due to strong covalent…
We have assigned the chirality of the internal tubes of double walled carbon nanotubes grown by catalytic chemical vapor deposition using the high sensitivity of the radial breathing mode (RB) in inelastic light scattering experiments. The…
The electron distribution of open-ended single-walled carbon nanotubes with chirality indexes (7,0) and (5,5) in the field emission conditions was calculated via a multi-scaled algorithm. The field emission images were produced numerically.…
Results of the bond lengths for various chiralities of single-wall carbon carbon nanotubes (SWNTs) (armchair, zigzag and chiral) are obtained. We use modified helical and rotational symmetries to describe the structure of SWNTs and Tersoff…
We compare the behavior of bond lengths, cross sectional shape and bulk modulus in equilibrium structure at ambient conditions and under hydrostatic pressure of all the three kinds of uncapped single walled carbon nanotubes. Results of our…
We performed first principles calculations on work functions of single wall carbon nanotubes (SWNTs), which can be divided into two classes according to tube diameter (D). For class I tubes (D > 1 nm), work functions lie within a narrow…
A mass and spring model is used to calculate the phonon mode dispersion for single wall carbon nanotubes (SWNTs) of arbitrary chirality. The calculated dispersions are used to determine the chirality dependence of the radial breathing…
Using first-principles calculations, we study the work function of single wall silicon carbide nanotube (SiCNT). The work function is found to be highly dependent on the tube chirality and diameter. It increases with decreasing the tube…
An oxygen assisted hydrocarbon chemical vapor deposition (CVD) method is developed to afford large-scale highly reproducible ultra high-yield growth of vertical single-walled carbon nanotubes (SWNT). It is revealed that reactive hydrogen…
Recent direct measurements of the growth kinetics of individual carbon nanotubes revealed abrupt changes in the growth rate of nanotubes maintaining the same crystal structure. These stochastic switches call into question the possibility of…
Using molecular dynamics simulations, we predict an effect of chirality on the conduction of benzene molecules along the surface of carbon nanotubes (CNTs) subjected to a thermal gradient. The group drift velocity of the molecules is found…
It remains an elusive goal to achieve high performance single-walled carbon nanotube (SWNTs) field effect transistors (FETs) comprised of only single chirality SWNTs. Many separation mechanisms have been devised and various degrees of…
In this study, the synthesis of multi-walled carbon nanotubes (MWCNTs) was carried out by chemical vapor deposition (CVD) using propane as the carbon source and Si as the catalyst support. The effect of CVD process variables such as…
We study the structural and electronic properties of isolated single-wall carbon nanotubes (SWNTs) under hydrostatic pressure using a combination of theoretical techniques: Continuum elasticity models, classical molecular dynamics…
The electronic structure of a graphene sheet is altered when it is rolled up to form a single-walled carbon nanotube (SWCNT), and the curvature effects for small radius nanotubes become significant. In the paper, an analogue of the Bloch…
The covalent functionalization of single-walled carbon nanotubes (SWCNTs) with luminescent quantum defects enables their application as near-infrared single-photon sources, as optical sensors, and for in-vivo tissue imaging. Tuning the…