Curvature effect on the surface diffusion of silver adatoms on carbon nanotubes: Deposition experiments and numerical simulations

2006 ◽  
Vol 74 (12) ◽  
Author(s):  
Ming-Chya Wu ◽  
Cui-Lian Li ◽  
Chin-Kun Hu ◽  
Yuan-Chih Chang ◽  
Yuan-Hong Liaw ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Numerical Simulations ◽  
Surface Diffusion ◽  
Curvature Effect ◽  
Silver Adatoms

THE BAND-GAP AND TRUE BAND-GAP IN NOMINALLY METALLIC CARBON NANOTUBES: THE TIGHT-BINDING STUDY ON CORRUGATION EFFECT

2014 ◽  
Vol 28 (08) ◽  
pp. 1450018
Author(s):  
HONGXIA LU ◽  
JIANBAO WU ◽  
JIZHEN WANG ◽  
SHAOCONG SHI ◽  
WEIYI ZHANG
Keyword(s):  
Carbon Nanotubes ◽  
Total Energy ◽  
Band Gap ◽  
Tight Binding ◽  
Small Radius ◽  
Single Wall Carbon Nanotubes ◽  
Curvature Effect ◽  
Tight Binding Approximation ◽  
Energy Calculations ◽  
Small Band

In this paper, the band-gap and true band-gap are analyzed for the corrugated structures of various types of single wall carbon nanotubes (SWCNTs) within the tight binding approximation. We show that corrugation, combined with curvature effect, yields naturally the true small band-gap in all SWCNTs with small radius. The more stable corrugated structures of SWCNTs are backed by the abinitio total energy calculations for nominally metallic armchair SWCNTs.

Chirality-dependent curvature effect in smallest single-walled carbon nanotubes

2003 ◽  
Vol 82 (9) ◽  
pp. 1467-1469 ◽  
Author(s):  
Irene L. Li ◽  
G. D. Li ◽  
H. J. Liu ◽  
C. T. Chan ◽  
Z. K. Tang
Keyword(s):  
Carbon Nanotubes ◽  
Single Walled Carbon Nanotubes ◽  
Curvature Effect ◽  
Single Walled Carbon ◽  
Walled Carbon Nanotubes

Curvature effect of vacancies in single-walled carbon nanotubes

2015 ◽  
Vol 633 ◽  
pp. 29-37 ◽  
Author(s):  
GuiXiao Jia ◽  
Fei Pan ◽  
JinXiao Bao ◽  
XiWen Song ◽  
YongFan Zhang
Keyword(s):  
Carbon Nanotubes ◽  
Single Walled Carbon Nanotubes ◽  
Curvature Effect ◽  
Single Walled Carbon ◽  
Walled Carbon Nanotubes

Mechanical properties of iron filled carbon nanotubes: Numerical simulations

2017 ◽  
Vol 121 (23) ◽  
pp. 234303 ◽  
Author(s):  
Vicente Munizaga ◽  
Ricardo Ramírez ◽  
Miguel Kiwi ◽  
Griselda García
Keyword(s):  
Mechanical Properties ◽  
Carbon Nanotubes ◽  
Numerical Simulations

Modeling the effect of uniaxial deformation on electrical conductivity for composite materials with extreme filler segregation

2019 ◽  
Vol 54 (3) ◽  
pp. 299-309 ◽  
Author(s):  
Oleg V Lebedev ◽  
Sergey G Abaimov ◽  
Alexander N Ozerin
Keyword(s):  
Carbon Nanotubes ◽  
Electrical Conductivity ◽  
Numerical Simulations ◽  
Volume Fraction ◽  
Conductive Filler ◽  
High Volume ◽  
Film Structure ◽  
Uniaxial Deformation ◽  
Multi Walled Carbon Nanotubes ◽  
Walled Carbon Nanotubes

In this work, the correlation between electrical conductivity and uniaxial deformation of a material with highly segregated distribution of conductive filler is studied. Multi-walled carbon nanotubes are used as a model filler. A numerical model that can be used to predict changes in conductive microstructure made of multi-walled carbon nanotubes in response to uniaxial deformation of material is proposed. The model takes into account the ability of nanotubes to assume various conformations and orientations during deformation. Numerical simulations are conducted for uniformly distributed multi-walled carbon nanotubes providing confinement of the filler in a two-dimensional film structure with high volume fraction of the filler. The embedded element method to conduct realistic and computationally efficient simulation of multi-walled carbon nanotube behavior during deformation of the composite material is implemented. Finally, the results of numerical simulations of changes in electrical conductivity of composite during deformation are compared with the experimental data to prove the correctness of assumptions used in the model.

The Role Played by Strain Fields, Dislocation Arrays, and Domain Boundaries During the Catalytic Synthesis of Carbon Nanotubes

2005 ◽  
Vol 900 ◽  
Author(s):  
Ludovico Matteo Dell'Acqua-Bellavitis ◽  
Jake D Ballard ◽  
Robert Vajtai ◽  
Pulickel M Ajayan ◽  
Richard W Siegel
Keyword(s):  
Carbon Nanotubes ◽  
Aspect Ratio ◽  
Surface Diffusion ◽  
Domain Boundary ◽  
Catalytic Synthesis ◽  
Ex Situ ◽  
Spherical Particles ◽  
Multi Wall Carbon Nanotubes ◽  
Domain Boundaries ◽  
Tilt Boundaries

ABSTRACTEx-situ transmission electron microscopy (TEM) was performed on catalytically-grown multi-wall carbon nanotubes (MWCNTs), leading to the identification of two types of catalyst-nanotube wall interfaces – respectively characterized by a quasi-spherical, low aspect ratio particle closer to the nanotube root and by a tapered, high aspect ratio particle farther away from it. The nanotubes exhibit two distinct types of boundaries between crystalline domains with different orientations – twist and twin boundaries in correspondence with quasi-spherical particles and tilt boundaries in correspondence with the tapered particles. TEM evidence suggests that the domain boundaries maintain a rather steady position coupled to the catalytic particles, while the carbon atoms diffuse along the nanotube axis away from the particles. From these considerations, it is possible to conclude that the relative movement of the carbon atoms with respect to the dislocation lines comprising the nanotube domain boundary located at the catalyst-wall interface is a significant mechanism for nanotube crystal growth mainly driven by surface diffusion. The results are interpreted in light of the concurrence of base- and tip- growth for the catalytic synthesis of nanotubes dominated by surface diffusion.

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