相关论文: Nanomechanics of CNTs for Sensor Application

We discuss how to apply many-body methods to correlated nanoscopic systems, and provide general criteria of validity for a treatment at the dynamical mean field theory (DMFT) approximation level, in which local correlations are taken into…

Transformation of carbon dioxide into carbon nanotubes, CNTs, by electrolysis in molten carbonates provides a low cost route to extract and store this greenhouse gas. CNTs are more stable, compact and valuable than fuels or other CO2…

Temperature dependent conformations of linear polymer molecules adsorbed at carbon nanotube (CNT) interfaces are investigated through molecule dynamics simulations. Model polyethylene (PE) molecules are shown to have selective conformations…

Carbon nanotube (CNT) films are widely considered as prospective building blocks for advanced electronic and nanostructured materials. In particular, electrical transport in high-density CNT films results from a complex interplay between…

The empirical data in conjunction with the quantum mechanical calculations show that the strength enhancement in the cement-carbon nanotubes (CNTs) composites is the courtesy of electrostatic potential energy. This is contrary to the…

In this paper, a carbon nanotube (CNT) based single-ion detector is proposed and its performance is evaluated with atomistic quantum transport models. The sensor can detect any ion type without molecule-specific functionalization and allows…

The wafer scale integration of carbon nanotubes (CNT) remains a challenge for electronic and electromechanical applications. We propose a novel CNT integration process relying on the combination of controlled capillary assembly and buried…

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…

A complex approach phonon quantum discrete model (PQDM) was developed to describe dynamics, kinetics and statistics of phonons in carbon nanostructures with zero-chirality of both zig-zag and armchair geometry. The model allows include into…

We have calculated the effects of structural distortions of armchair carbon nanotubes on their electrical transport properties. We found that the bending of the nanotubes decreases their transmission function in certain energy ranges and…

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…

We theoretically investigate the influence of defect-induced long-range deformations in carbon nanotubes on their electronic transport properties. To this end we perform numerical ab-initio calculations using a density-functional-based…

Carbon nanotubes play a fundamental role in the rapidly developing field of nanoscience and nanotechnology because of their unique properties and high potential applictions. In this article, the different synthesis method of CNTs are…

A simplified density functional theory (DFT) method for charged adsorbates on an ultrathin, insulating film supported by a metal substrate is developed and presented. This new method is based on a previous DFT development that uses a…

Self-locking structures are often studied in macroscopic energy absorbers, but the concept of self-locking can also be effectively applied at the nanoscale. In particular, we can engineer self-locking mechanisms at the molecular level…

Efficient molecular dynamics (MD) simulation is vital for understanding atomic-scale processes in materials science and biophysics. Traditional density functional theory (DFT) methods are computationally expensive, which limits the…

The assembly of aligned carbon nanotubes (CNT) into fibers (CNTF) is a convenient approach to exploit and apply the unique physico-chemical properties of CNTs in many fields. CNT functionalization has been extensively used for their…

This study investigates the torsional mechanical properties of pristine iron (Fe) and carbon-doped iron (FeC) nanowires with [001] orientation through molecular dynamics simulations utilizing the Modified Embedded Atom Method (MEAM)…

The ultra-low intershell shear strength in carbon nanotubes (CNTs) has been the primary obstacle to applications of CNTs as mechanical reinforcements. In this paper we propose a new CNT-system composed of comprising of coaxial cylindrical…

Carbon nanotubes (CTNs) with large aspect-ratios are extensively used to establish electrical connectedness in polymer melts at very low CNT loadings. However, the CNT size polydispersity and the quality of the dispersion are still not…