相关论文: High Pressure Induced Binding Between Linear Carbo…

Raman spectroscopy has been the most extensively employed method to study carbon nanotubes at high pressures. This review covers reversible pressure-induced changes of the lattice dynamics and structure of single- and multi-wall carbon…

Spontaneous entry of water molecules inside single-wall carbon nanotubes (SWCNTs) has been confirmed by both simulations and experiments. Using molecular dynamics simulations, we have studied the thermodynamics of filling of a (6,6) carbon…

Combining a classical force field, a tight-binding model, and first-principles calculations, we have studied structural, electronic, and optical properties of double-walled carbon nanotube (DWNT) bundles under hydrostatic pressure. We find…

In this letter, we demonstrate a strong dependence of the electrostatic deformation of doubly-clamped single-walled carbon nanotubes on both the field strength and the tube length, using molecular simulations. Metallic nanotubes are found…

Random networks of single-walled carbon nanotubes (CNTs) usually contain both metallic (m-CNTs) and semiconducting (s-CNTs) nanotubes with an approximate ratio of 1:2, which leads to a trade-off between on-conductance and on/off ratio. We…

Fabrics of continuous fibers of carbon nanotubes (CNTFs) are attractive materials for multifunctional energy storage devices, either as current collector, or as active material. Despite a similar chemical composition,…

Carbon nanotubes (CNTs) have attracted increasing attention because of their unique structural, mechanical, and electronic properties. Surface chemistry modifications are also useful and critical to manipulate the adsorptive properties of…

In the present study, we report a systematic study of doping/ admixing of carbon nanotubes (CNTs) in different concentrations in MgB2. The composite material corresponding to MgB2+ x at.%CNTs (35 at.% > x > 0 at.%) have been prepared by…

The paper aims at the development of a digital twin modelling the electrical conductivity of multi-wall carbon nanotube (MWCNT)/polymer nanocomposite. A comparative analysis is conducted for various formulations of boundary conditions in…

We study the transport properties of defective single-walled armchair carbon nanotubes (CNTs) on a mesoscopic length scale. Monovacancies and divancancies are positioned randomly along the CNT. The calculations are based on a fast, linearly…

High pressure Raman experiments were performed on bundled double wall carbon nanotubes (DWCNTs). We observe peculiar regularity in the strength of the inner-outer tube (intratube) interaction, which is attributed to the interplay between…

We examine the effect of van der Waals (vdW) interactions between atomic force microscope (AFM) tips and individual carbon nanotubes (CNTs) supported on SiO2. Molecular dynamics (MD) simulations reveal how CNTs deform during AFM…

We present the results of analytical study and Molecular Dynamics simulation of low energy nonlinear non-stationary dynamics of single-walled carbon nanotubes (CNTs). New phenomena of intensive energy exchange between different parts of CNT…

The structural, electronic, optical and vibrational properties of the collapsed (10,10) single-walled carbon nanotube bundle under hydrostatic pressure have been studied by the first-principles calculations. Some features are observed in…

A dilute suspension of carbon nanotubes (CNTs) in a nematic liquid crystal (LC) does not disturb the LC director. Due to a strong LC-CNT anchoring energy and structural symmetry matching, CNT long axis follows the director field, possessing…

Spontaneous polygonization for a multi-walled carbon nanotubes (MWCNTs) have been observed for about two decades. In present manuscript, this phenomenon is understood by the competition between cohesion energy (with lattice mismatching…

We report here on electrical measurements on individual multi-walled carbon nanotubes (MWNTs) that show that the presence or movement of impurities or defects in the carbon nanotube can radically change its low temperature transport…

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…

Quantum friction describes the transfer of energy and momentum from electronically excited states in a material to a surrounding solvent. Here, we show that near-infrared (NIR) fluorescent single-walled carbon nanotubes (SWCNTs) exhibit…

We use molecular dynamics simulations to study the diffusion of water inside deformed carbon nanotubes, with different degrees of eccentricity at 300K. We found a water structural transition between tubular-like to single-file for the (7,7)…