Related papers: Chirality-Dependent Motion Transmission between Al…
Based on the similarity between the chiral nanotube and the classical solenoid, we study chiral transport along the circumferential direction in a carbon nanotube. We calculate the chiral conductivity, representing a circumferential current…
Spin-dependent coherent quantum transport through carbon nanotubes (CNT) is studied theoretically within a tight-binding model and the Green's function partitioning technique. End-contacted metal/nanotube/metal systems are modelled and next…
We investigate the electronic transport properties of semiconducting ($m$,$n$) carbon nanotubes (CNTs) on the mesoscopic length scale with arbitrarily distributed realistic defects. The study is done by performing quantum transport…
Molecular dynamics (MD) simulations with Adaptive Intermolecular Reactive Empirical Bond Order (AIREBO) force fields were conducted to determine the transversely isotropic elastic properties of carbon nanotubes (CNTs) containing vacancies.…
Carbon nanotube (CNT) is expected for much more important and broader applications in the future, because of its amazing electrical and mechanical properties. However, today, the prospect is detained by the fact that the growth of CNTs…
The origin of the chirality of single-walled carbon nanotubes (SWCNTs) has been a long-standing dispute. Molecular dynamics (MD) simulations driven by machine-learning force fields (MLFF), which can study the interface dynamics under near…
We report results on the rectification properties of a carbon nanotube (CNT) ring transistor, contacted by CNT leads, whose novel features have been recently communicated by Watanabe et al. [Appl. Phys. Lett. 78, 2928 (2001)]. This paper…
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…
The conductivity of carbon nanotube (CNT) networks can be improved markedly by doping with nitric acid. In the present work, CNTs and junctions of CNTs functionalized with NO$_3$ molecules are investigated to understand the microscopic…
The structure and motion of carbon and h-BN nanotubes (NTs) deposited on graphene is inquired theoretically by simulations based on state-of-the-art interatomic force fields. Results show that any typical cylinder-over-surface approximation…
Calculations of the conductance of a carbon nanotube (CNT)-molecule-CNT structure are in agreement with experimental measurements [1]. The features in the transmission correspond directly to the features of the isolated molecular orbitals.…
We consider chirality related effects in optical, photogalvanic and electron-transport properties of carbon nanotubes. We show that these properties of chiral nanotubes are determined by terms in the electron effective Hamiltonian…
The heat flux autocorrelation functions of carbon nanotubes (CNTs) with different radius and lengths is calculated using equilibrium molecular dynamics. The thermal conductance of CNTs is also calculated using the Green-Kubo relation from…
Given the high potential for applications utilizing the unique properties of single-walled carbon nanotubes (SWCNTs), there is considerable enthusiasm for addressing the challenges associated with synthesizing SWCNTs with specific…
Super-aligned carbon nanotube (CNT) films have intriguing anisotropic thermal transport properties due to the anisotropic nature of individual nanotubes and the important role of nanotube alignment. However, the relationship between the…
Understanding the role of cap structure during the nucleation and growth of single-walled carbon nanotubes (SWCNTs) is essential for achieving chirality-controlled synthesis. In this work, we propose a novel and intuitive algorithm to…
Chiral carbon nanotubes (CNTs) are direct-gap semiconductors with optical properties governed by one-dimensional excitons with enormous oscillator strengths. Each species of chiral CNTs has an enantiomeric pair of left- and right-handed…
While one of the most promising applications of carbon nanotubes (CNTs) is to enhance polymer orientation and crystallization to achieve advanced carbon fibers, the successful realization of this goal has been hindered by the insufficient…
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…
From resonant Raman scattering on isolated nanotubes we obtained the optical transition energies, the radial breathing mode frequency and Raman intensity of both metallic and semiconducting tubes. We unambiguously assigned the chiral index…