scholarly journals Structural and Vibrational Properties of C60 and C70 Fullerenes Encapsulating Carbon Nanotubes

2018 ◽  
Author(s):  
Hassane Chadli ◽  
Fatima Fergani ◽  
Abdelali Rahmani
Keyword(s):  
Carbon Nanotubes ◽  
Vibrational Properties

scholarly journals Structural and vibrational properties of deformed carbon nanotubes

2009 ◽  
Vol 4 (3) ◽  
pp. 280-296 ◽  
Author(s):  
Xiao-ping Yang ◽  
Gang Wu ◽  
Jin-ming Dong
Keyword(s):  
Carbon Nanotubes ◽  
Vibrational Properties

Vibrational Properties and Structure of Carbon Nanotubes Based on C60 Molecule and Its Symmetry

1998 ◽  
Vol 282-283 ◽  
pp. 109-114 ◽  
Author(s):  
R. Kostić ◽  
D. Raković ◽  
M. Grujić-Brojčin
Keyword(s):  
Carbon Nanotubes ◽  
Vibrational Properties ◽  
Structure Of Carbon Nanotubes

Numerical Modeling of the Eigenmodes and Eigenfrequencies of Carbon Nanotubes under the Influence of Defects

2012 ◽  
Vol 21 ◽  
pp. 159-164 ◽  
Author(s):  
Ali Ghavamian ◽  
Andreas Öchsner
Keyword(s):  
Finite Element Method ◽  
Carbon Nanotubes ◽  
Natural Frequency ◽  
Single Walled Carbon Nanotubes ◽  
Vibrational Properties ◽  
The Finite Element Method ◽  
Single Walled Carbon ◽  
Si Doping ◽  
Walled Carbon Nanotubes ◽  
Mathematical Relations

Two configurations of perfect single walled carbon nanotubes (armchair and zigzag) were simulated based on the finite element method. Then, three most likely defects (Si-doping, carbon vacancy and perturbation) were introduced to the models to represent defective forms of single walled carbon nanotubes (SWCNTs). Finally, the vibrational properties of perfect and defective carbon nanotubes were evaluated and compared. The results showed that SWCNTs have a natural frequency with a rather high value between 18.69 and 24.01 GHz. In the consideration of the natural frequency of the defective SWCNTs, it was also observed that the existence of any type of defects or irregularities leads to a lower value of natural frequency and vibrational stability. Simple mathematical relations which express the change in natural frequency versus the percentage of the defect were also presented. This can be very useful to realistically estimate the influence of defects of different amounts on the vibrational behavior of carbon nanotubes.

scholarly journals Ab initiostructural, elastic, and vibrational properties of carbon nanotubes

1999 ◽  
Vol 59 (19) ◽  
pp. 12678-12688 ◽  
Author(s):  
Daniel Sánchez-Portal ◽  
Emilio Artacho ◽  
José M. Soler ◽  
Angel Rubio ◽  
Pablo Ordejón
Keyword(s):  
Carbon Nanotubes ◽  
Vibrational Properties

Excitonic and Vibrational Properties of Single-Walled Semiconducting Carbon Nanotubes

2007 ◽  
Vol 17 (17) ◽  
pp. 3405-3420 ◽  
Author(s):  
S. Kilina ◽  
S. Tretiak
Keyword(s):  
Carbon Nanotubes ◽  
Vibrational Properties

Vibrational Properties of Single-Wall Carbon Nanotubes: A First-Principles Study

2007 ◽  
Vol 7 (6) ◽  
pp. 1787-1792 ◽  
Author(s):  
Mousumi Upadhyay Kahaly ◽  
UmeshV. Waghmare
Keyword(s):  
Carbon Nanotubes ◽  
First Principles ◽  
Single Wall Carbon Nanotubes ◽  
Vibrational Properties ◽  
Single Wall Carbon ◽  
First Principles Study

Vibrational properties of two and three junctioned carbon nanotubes

2012 ◽  
Vol 65 ◽  
pp. 411-425 ◽  
Author(s):  
Mir Masoud Seyyed Fakhrabadi ◽  
Ali Amini ◽  
Abbas Rastgoo
Keyword(s):  
Carbon Nanotubes ◽  
Vibrational Properties

Phonon Dispersions of a Single-Wall (8,0) Carbon Nanotube: Effects of the Rotational Acoustic Sum Rule and of Surface Attachment

2004 ◽  
Vol 858 ◽  
Author(s):  
Nicolas Mounet ◽  
Nicola Marzari
Keyword(s):  
Carbon Nanotubes ◽  
First Principles ◽  
Lattice Dynamics ◽  
Density Functional ◽  
Single Walled Carbon Nanotubes ◽  
Vibrational Properties ◽  
Surface Attachment ◽  
Sum Rule ◽  
Density Functional Perturbation Theory ◽  
Walled Carbon Nanotubes

ABSTRACTThe lattice dynamics of single-walled carbon nanotubes (SWCNT) is studied from first-principles using density-functional perturbation theory (DFPT) at the GGA-PBE level. The phonon dispersions of a pristine, infinite zigzag (8,0) SWCNT are obtained and the effect of applying the rotational acoustic sum rule on vibrational properties is discussed. Finally we study the effects of covalent functionalizations on the SWCNT phonon frequencies by selectively increasing the effective mass of the carbon atoms that would link to the functional groups.

Vibrational properties and Raman spectra of single-wall carbon nanotubes with divacancy

2010 ◽  
Vol 107 (10) ◽  
pp. 103503 ◽  
Author(s):  
Xu Chang ◽  
Jian Zhou ◽  
Wei Fa ◽  
Jinming Dong
Keyword(s):  
Carbon Nanotubes ◽  
Raman Spectra ◽  
Single Wall Carbon Nanotubes ◽  
Vibrational Properties ◽  
Single Wall Carbon
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