Structural properties of carbon nanogears

Date

2008-01-01

Author

Tasci, Emre
Malcıoğlu, Osman Barış
Erkoc, Sakir

Metadata

Show full item record

This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

Item Usage Stats

150
views

0
downloads

Structural stabilities of different types of carbon nanogears have been tested against temperature by means of a molecular dynamics procedure. Effects of periodic boundary conditions were also examined. It has been found that although the two types of nanogears (armchair and zigzag CNT yielding) investigated look similar in configuration, when tested against high temperatures, bond breakings and deformations occur at different regions.

Subject Keywords

Physical and Theoretical Chemistry, Organic Chemistry, General Materials Science, Atomic and Molecular Physics, and Optics

URI

https://hdl.handle.net/11511/42620

Journal

FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES

DOI

https://doi.org/10.1080/15363830701779307

Collections

Department of Physics, Article

Suggestions

OpenMETU
Core

Stability of carbon nanotori under heat treatment: Molecular-dynamics simulations Tasci, E; Yazgan, E; Malcıoğlu, Osman Barış; Erkoc, S (Informa UK Limited, 2005-04-01) The structural stability of carbon nanotori have been investigated by performing molecular-dynamics simulations. The systems considered are C-170, C-250, C-360, C-520 and C-750 tori, which have been constructed using a recently developed algorithm based on the idea of Fonseca et al. Calculations, have been realized by using an empirical many-body potential energy function for carbon. It has been found that all the nanotori considered are stable under heat treatment.
Surface Modification and Characterization of Multi-Walled Carbon Nanotube Kanbur, Yasin; Kucukyavuz, Zuhal (Informa UK Limited, 2011-01-01) Multi-walled carbon nanotubes (MWCNTs) were chemically functionalized by using sulfuric acid and nitric acid. The functionalization was done with two different acid ratio. The functionalized nanotubes were characterized with Fourier Transform Infrared Spectroscopy, X-Ray Photon Spectroscopy, Thermal Gravimetric Analysis, Elemental Analysis, Scanning Electron Microscopy (SEM), and Transmission Electron Microscopy. Sulfonation of carbon nanotubes (CN) increased the electrical conductivity of carbon nanotubes ...
Study of the Influence of Transition Metal Atoms on Electronic and Magnetic Properties of Graphyne Nanotubes Using Density Functional Theory Alaei, Sholeh; Jalili, Seifollah; Erkoç, Şakir (Informa UK Limited, 2015-01-01) Density functional theory calculations were used to study the adsorption of three transition metal atoms (Fe, Co, and Ni) on the external surface of two zigzag and two armchair graphyne nanotubes. The most stable position for the adsorption of all three metal atoms on all nanotubes is on the acetylenic ring. The metal atom remains in the plane of the acetylenic ring and makes six bonds with neighboring carbon atoms. Fe and Co complexes are magnetic and show different properties such as metal, semimetal, hal...
Structural and electronic properties of 'benzorods' Erkoc, F (Elsevier BV, 2003-11-03) The structural and electronic properties of benzorods, carbon nanorods made of benzen molecules, have been investigated systematically by performing semi-empirical self-consistent-field molecular-orbital theory calculations at AM1-RUF level. The benzorod represented by nC6 contains n benzonoid rings placed parallel to each other forms a stable structure.
Active carbon/graphene hydrogel nanocomposites as a symmetric device for supercapacitors ATEŞ, MURAT; Cinar, Damla; Caliskan, Sinan; GEÇGEL, ÜNAL; ÜNER, OSMAN; BAYRAK, YÜKSEL; Candan, Idris (Informa UK Limited, 2016-01-01) Activated carbons (ACs) are successfully synthesized from Elaeagnus grain by a simple chemical synthesis methodology and demonstrated as novel, suitable supercapacitor electrode materials for graphene hydrogel (GH)/AC nanocomposites. GH/AC nanocomposites are synthesized via hydrothermal process at temperature of 180 degrees C. The low-temperature thermal exfoliation approach is convenient for mass production of graphene hydrogel (GH) at low cost and it can be used as electrode material for energy storage ap...

Citation Formats

E. Tasci, O. B. Malcıoğlu, and S. Erkoc, “Structural properties of carbon nanogears,” FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES, pp. 30–39, 2008, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/42620.