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The dynamic oxygen migration at the interface of carbon allotropes dominated by the periodic hexagonal rings, including graphene and carbon nanotube, has opened up a new avenue to realize dynamic covalent materials. However, for the carbon…

Materials Science · Physics 2023-06-07 Boyi Situ , Zihan Yan , Rubin Huo , Kongbo Wang , Liang Chen , Zhe Zhang , Liang Zhao , Yusong Tu

The dynamic covalent properties of graphene oxide (GO) are of fundamental interest to a broad range of scientific areas and technological applications. It remains a challenge to access the feasible dynamic reactions for reversibly…

Materials Science · Physics 2022-08-24 Zihan Yan , Wenjie Yang , Hao Yang , Chengao Ji , Shuming Zeng , Xiuyun Zhang , Liang Zhao , Yusong Tu

In terms of lattice dynamics theory, we study the vibrational properties of the oxygen-functionalized single wall carbon nanotubes (O-SWCNs). Due to the C-O and O-O interactions, many degenerate phonon modes are split and even some new…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Z. X. Guo , J. W. Ding , Y. Xiao , D. Y. Xing

Oxygen defects in semiconducting single-walled carbon nanotubes (SWCNTs) are localized disruptions in the carbon lattice caused by the formation of epoxy or ether groups, commonly through wet-chemical reactions. The associated modifications…

Applied Physics · Physics 2024-02-09 Sonja Wieland , Abdurrahman Ali El Yumin , Simon Settele , Jana Zaumseil

The electronic and structural properties of zigzag and armchair single-wall carbon nanotubes (SWCNT) with a single vacancy or two vacancies located at various distances have been obtained within the frame of the Density Function Theory…

Atomic and Molecular Clusters · Physics 2008-07-15 A. Proykova , H. Iliev , Feng Yin Li

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…

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…

Mesoscale and Nanoscale Physics · Physics 2014-12-30 Valeri V. Smirnov , Leonid I. Manevitch , Matteo Strozzi , Francesco Pelicano

We study the effects of covalent functionalization of single wall carbon nanotubes (CNT) on their elastic properties. We consider simple organic molecules -NH, -NH2, -CH2, -CH3, -OH attached to CNTs' surface at various densities. The…

Materials Science · Physics 2017-09-13 Karolina Z. Milowska , Jacek A. Majewski

Structural identification of double-walled carbon nanotubes (DWNT) is presented through a robust procedure based on the latest generation of transmission electron microscope, making possible a statistical analysis based on numerous…

We find that negative charges on an armchair single-walled carbon nanotube (SWCNT) can significantly enhance the migration of a carbon adatom on the external surfaces of SWCNTs, along the direction of the tube axis. Nanotube charging…

Atomic and Molecular Clusters · Physics 2017-03-14 Longtao Han , Predrag Krstic , Igor Kaganovich , Roberto Car

Three kinds of the response mechanisms to the external pressure have been found for double-walled carbon nanotube (DWNT) bundle, depending strongly on their average radius and symmetry. The small-diameter DWNT bundle undergoes a small…

Materials Science · Physics 2015-05-13 Xiaoping Yang , Gang Wu , Jinming Dong

The catalytic activity of metal nanoparticles toward nucleation of single-walled carbon nanotubes (SWCNTs) is fundamental to achieving structure-controlled growth using catalytic chemical vapor deposition (CVD). Despite the success of…

Materials Science · Physics 2025-06-16 Ben McLean , Alister J. Page , Feng Ding

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…

Mesoscale and Nanoscale Physics · Physics 2015-01-27 Hemant Kumar , Chandan Dasgupta , Prabal K. Maiti

The one-dimensional confinement of quasiparticles in individual carbon nanotubes (CNTs) leads to extremely anisotropic electronic and optical properties. In a macroscopic ensemble of randomly oriented CNTs, this anisotropy disappears…

The mechanical properties of the so-called `super' carbon nanotubes (STs) are investigated using classical molecular dynamics simulations. The STs are built from single walled carbon nanotubes (SWCNTs) connected by Y-like junctions forming…

Materials Science · Physics 2009-11-13 Vitor R. Coluci , Nicola M. Pugno , Socrates O. Dantas , Douglas S. Galvao , Ado Jorio

We present a study on the kinetics of oxygen adsorption and desorption from single-wall carbon nanotube (SWNT) and highly oriented pyrolytic graphite (HOPG) samples. Thermal desorption spectra for SWNT samples show a broad desorption…

Materials Science · Physics 2009-11-07 Hendrik Ulbricht , Gunnar Moos , Tobias Hertel

A spectroscopic study of the amino functionalization of double-walled carbon nanotube (DWCNT) is performed. Original experimental investigations by near edge X-ray absorption fine structure spectroscopy at the C and O K-edges allow one to…

We develop a continuous theory of low-frequency dynamics for nanotubes with truly two-dimensional (2D) walls constituted by single-atom monolayer. In this frame topological bending elasticity of the monolayer is not related to its vanishing…

Materials Science · Physics 2015-06-16 S. B. Rochal , V. L. Lorman , Yu. I. Yuzyuk

We have observed a nearly fourfold increase in the electron spin resonance (ESR) signal from an ensemble of single-walled carbon nanotubes (SWCNTs) due to oxygen desorption. By performing temperature-dependent ESR spectroscopy both before…

Materials Science · Physics 2012-05-08 W. D. Rice , R. T. Weber , A. D. Leonard , J. M. Tour , P. Nikolaev , S. Arepalli , V. Berka , A. -L. Tsai , J. Kono

The mechanical stability of open single wall carbon nanotubes (SWCNT) under axial stress (compression and tension) and twist has been re-examined in a search of specific tube-length and load scaling. SWCNT with different chiralities and…

Materials Science · Physics 2007-05-23 Ana Proykova , Hristo Iliev
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