scholarly journals Electromechanical responses of single-walled carbon nanotubes: Interplay between the strain-induced energy-gap opening and the pinning of the Fermi level

2005 ◽  
Vol 98 (4) ◽  
pp. 044311 ◽  
Author(s):  
G. Y. Guo ◽  
Lei Liu ◽  
K. C. Chu ◽  
C. S. Jayanthi ◽  
S. Y. Wu
2004 ◽  
Vol 18 (15) ◽  
pp. 769-774 ◽  
Author(s):  
JIANGWEI CHEN ◽  
ZHENGHUI YANG ◽  
JUN GU

Based upon the Slater–Koster tight-binding calculations, we investigated electronic properties of the "metallic" single-walled carbon nanotubes (SWNTs) in detail. Our results show that tube curvature may produce an energy gap at the Fermi level for zigzag and chiral "metallic" SWNTs, and this effect decreases with the increasing of either the radius or the chiral angle. Our calculated results are in good agreement with experiments.


2017 ◽  
Vol 129 (40) ◽  
pp. 12408-12412
Author(s):  
Belén Nieto-Ortega ◽  
Julia Villalva ◽  
Mariano Vera-Hidalgo ◽  
Luisa Ruiz-González ◽  
Enrique Burzurí ◽  
...  

Author(s):  
Shuhei Inoue ◽  
Takeshi Nakajima ◽  
Kazuya Nomura ◽  
Yoshihiro Kikuchi

Single-walled carbon nanotubes are considered the most attractive material and a lot of synthesis processes are developed. Among these synthesis processes chemical vapor deposition processes are considered to be most suitable for macroscopic production. In many CVD processes the alcohol catalytic CVD process can be the best process because it can produce very pure nanotubes without any purification. However, cobalt is essential as a catalyst that makes the flexibility of catalysts restricted. In this paper, our investigation mainly focused on as follows: The efficiency of combined catalysts with/without cobalt. The diameter distributions against catalysts density. The electrical states of catalysts near Fermi level. Consequently, almost all of cobalt containing catalysts worked well, and the diameter distributions were proportional to the particle size. Efficient catalysts had enough states around Fermi level and the cobalt-less efficient catalyst cluster model showed the similar density of state to the cobalt cluster. Thus, noticing to the DOS, other efficient catalysts can be discovered and the diameter distribution will be controllable by adjusting temperature, a catalyst size, and a catalyst combination without any complicated techniques and facilities.


2017 ◽  
Vol 56 (40) ◽  
pp. 12240-12244 ◽  
Author(s):  
Belén Nieto-Ortega ◽  
Julia Villalva ◽  
Mariano Vera-Hidalgo ◽  
Luisa Ruiz-González ◽  
Enrique Burzurí ◽  
...  

2013 ◽  
Vol 27 (15) ◽  
pp. 1350114
Author(s):  
FUSHENG LUO ◽  
QINGYI SHAO ◽  
LIXIA ZHANG ◽  
JUAN ZHANG ◽  
ZHONGLIANG PAN

By using the first-principles methods based on density function theory (DFT), the effects of boron(B)/phosphorus(P) pair co-doping on the electrical properties of zigzag single-walled carbon nanotubes (SWNTs) have been investigated. We calculated the formation energies and band structures of (6, 0) metallic and (8, 0) semiconducting SWNTs with different B/P co-doping sites and concentrations. The obtained formation energies suggest that the B/P co-doping configurations are energetically stable structures and the B and P tend to form a B–P bond. It shows that an energy gap is opened by B/P co-doping in (6, 0) metallic SWNTs and the metallic carbon nanotubes are converted into semiconductors. For the (8, 0) semiconducting SWNTs, B/P co-doping influences the band structure, but it does not change the attributes essentially and the SWNTs are still semiconducting. It was also found that the band structures depend on the doping concentration as well as the doping site of B/P pair.


2008 ◽  
Vol 01 (01) ◽  
pp. 1-6 ◽  
Author(s):  
SAN HUA LIM ◽  
JIANYI LIN ◽  
LEI LIU ◽  
HUI PAN ◽  
HUA LONG PAN ◽  
...  

OH-functionalized single-walled carbon nanotubes (SWNTs), i.e. SWNT–OH, were prepared through the ball-milling of purified SWNTs with KOH. The composition of the pristine SWNTs bulk sample was characterized by resonance Raman scattering. The OH-functionalization-induced shrinking of the energy gap, the charge transfer from C to –OH, the depletion of top valence band density, the modification of energy band structure and the significant reduction in the work function of SWNTs were experimentally studied by variable temperature FTIR, Raman scattering, ultra-violet photoelectron spectroscopy, X-ray photoelectron energy loss spectroscopy etc. Ab initio calculation was also performed to assist the discussion.


2018 ◽  
Vol 53 (18) ◽  
pp. 13018-13029 ◽  
Author(s):  
Marianna V. Kharlamova ◽  
Christian Kramberger ◽  
Oleg Domanov ◽  
Andreas Mittelberger ◽  
Kazuhiro Yanagi ◽  
...  

2012 ◽  
Vol 27 (01) ◽  
pp. 1350003
Author(s):  
LI XIA ZHANG ◽  
JUAN ZHANG ◽  
QING YI SHAO

By using the first-principles method based on density functional theory, we investigate the structural and electrical properties of the small radius (4, 0) single-walled carbon nanotubes (SWCNTs) in which one or more carbon atoms are substituted by one or more nitrogen (N) atoms. Results show that substitution of nitrogen alters the electrical properties and the global structure of the tube in some way. The conductivity of the metallic (4, 0) SWCNT weaken and an energy gap opens after doping nitrogen atoms. Meanwhile, the further research tells us that a large dosage concentration will bring a large change to the band structure for the SWCNTs.


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