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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,…

Materials Science · Physics 2007-05-23 Jin-Wu Jiang , Hui Tang , Bing-Shen Wang , Zhao-Bin Su

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…

Mesoscale and Nanoscale Physics · Physics 2015-05-30 Weihua Mu , Zhongcan Ou-Yang

We present a general approach to the computational design of nanostructured chemical sensors. The scheme is based on identification and calculation of microscopic descriptors (design parameters) which are used as input to a thermodynamic…

The temperature dependence of the band gap of semiconducting single-wall carbon nanotubes (SWNTs) is calculated by direct evaluation of electron-phonon couplings within a ``frozen-phonon'' scheme. An interesting diameter and chirality…

Materials Science · Physics 2009-11-10 Rodrigo B. Capaz , Catalin D. Spataru , Paul Tangney , Marvin L. Cohen , Steven G. Louie

Theory predicts peculiar features for excited-state dynamics in one dimension (1D) that are difficult to be observed experimentally. Single-walled carbon nanotubes (SWNTs) are an excellent approximation to 1D quantum confinement, due to…

Mesoscale and Nanoscale Physics · Physics 2015-05-13 Giancarlo Soavi , Francesco Scotognella , Daniele Viola , Timo Hefner , Tobias Hertel , Giulio Cerullo , Guglielmo Lanzani

Despite many theoretical schemes, the direct experimental observation of supramolecular control on band gap opening in single-walled carbon nanotubes (SWNT) is still lacking. We report experimental and theoretical demonstration of metal to…

In many field electron emission experiments on single-walled carbon nanotubes (SWCNTs), the SWCNT stands on one of two well-separated parallel plane plates, with a macroscopic field FM applied between them. For any given location "L" on the…

The topological phase transition is theoretically studied in a metallic single-wall carbon nanotube (SWNT) by applying a magnetic field $B$ parallel to the tube. The $\mathbb{Z}$ topological invariant, winding number, is changed…

Mesoscale and Nanoscale Physics · Physics 2016-12-06 Rin Okuyama , Wataru Izumida , Mikio Eto

Order(N) Tight-Binding Molecular Dynamics (TBMD) simulations are performed to investigate the thermal stability of (10,10) metallic Single-Walled Carbon Nanotubes (SWCNT). Periodic boundary conditions (PBC) are applied in axial direction.…

Materials Science · Physics 2009-11-13 G. Dereli , B. Sungu , C. Ozdogan

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…

Mesoscale and Nanoscale Physics · Physics 2025-03-06 Sida Sun , Shigeo Maruyama , Yan Li

We have observed the transversal vibration mode of suspended carbon nanotubes at millikelvin temperatures by measuring the single-electron tunneling current. The suspended nanotubes are actuated contact-free by the radio frequency electric…

Mesoscale and Nanoscale Physics · Physics 2009-07-18 A. K. Huettel , G. A. Steele , B. Witkamp , M. Poot , L. P. Kouwenhoven , H. S. J. van der Zant

We present a theoretical study of the role of the local environment in the electronic properties of carbon nanotubes: isolated single- and multi-wall nanotubes, nanotube-ropes, tubes supported on gold and cutted to finite length.…

Materials Science · Physics 2009-10-31 Angel Rubio

We use classical molecular dynamics simulations to study the collapse of single (SWNT) and double-walled (DWNT) carbon nanotube bundles under hydrostatic pressure. The collapse pressure (pc) varies as 1/R^3, where R is the SWNT radius or…

Other Condensed Matter · Physics 2009-11-11 Vikram Gadagkar , Prabal K. Maiti , Yves Lansac , A. Jagota , A. K. Sood

In this dissertation, thermal and electrical properties of aligned multiwall carbon nanotubes (MWNTs) prepared by thermal decomposition of hydrocarbons have been experimentally studied. The thesis consists of six chapters. Ch1 is an…

Mesoscale and Nanoscale Physics · Physics 2012-04-19 Wei Yi

Because of their natural one-dimensional (1D) structure combined with intricate chiral variations, carbon nanotubes (CNTs) exhibit various exceptional physical properties, such as ultrahigh electrical and thermal conductivity, exceptional…

A continuous model of double-walled carbon nanotube (DWCNT) low-frequency dynamics was constructed. In the frame of the approach proposed formation of a DWCNT low-frequency phonon spectrum from the ones of corresponding single-walled carbon…

Mesoscale and Nanoscale Physics · Physics 2016-06-22 M. V. Avramenko , S. B. Rochal

The electronic breakdown and the bias dependence of the conductance have been investigated for a large number of catalytic chemical vapor deposition (CCVD) grown single-walled carbon nanotubes (SWCNTs) with very small diameters. The…

Materials Science · Physics 2009-11-10 R. V. Seidel , A. P. Graham , B. Rajasekharan , E. Unger , M. Liebau , G. S. Duesberg , F. Kreupl , W. Hoenlein

We will study the competitive effect between the transport of a quantum dot adsorbed to a ballistic channel and laterally coupled to a single-walled carbon nanotube (SWNT). We will use the tight-binding approach to analytically write the…

Mesoscale and Nanoscale Physics · Physics 2020-10-23 Thiago Lobo , Minos A. Neto , Marcio G. da Silva , Octavio D. R. Salmon

An investigation concerning the tautness of suspended carbon nanotubes (CNTs), grown using the chemical vapor deposition (CVD) method is presented. The suspended nanotubes were analyzed with both a transmission electron microscope (TEM),…

Materials Science · Physics 2007-05-23 Z. R. Abrams , Y. Hanein

In this article, we report the results of relatively facile fabrication of carbon nanodots from single-walled and multi-walled carbon nanotubes (SWCNT and MWCNT). The results of X-ray photoelectron spectroscopy (XPS) and Raman measurements…

Mesoscale and Nanoscale Physics · Physics 2023-07-19 D. W. Boukhvalov , D. A. Zatsepin , Yu. A. Kuznetsova , V. I. Pryakhina , A. F. Zatsepin