Variations of the Geometries and Band Gaps of Single-Walled Carbon Nanotubes and the Effect of Charge Injection

2003 ◽  
Vol 107 (29) ◽  
pp. 6924-6931 ◽  
Author(s):  
Guangyu Sun ◽  
Jenö Kürti ◽  
Miklos Kertesz ◽  
Ray H. Baughman
Keyword(s):  
Carbon Nanotubes ◽  
Charge Injection ◽  
Single Walled Carbon Nanotubes ◽  
Band Gaps ◽  
Single Walled Carbon ◽  
Walled Carbon Nanotubes

Thermodynamic control of quantum defects on single-walled carbon nanotubes

2019 ◽  
Vol 55 (91) ◽  
pp. 13757-13760 ◽  
Author(s):  
Yutaka Maeda ◽  
Hiyori Murakoshi ◽  
Haruto Tambo ◽  
Pei Zhao ◽  
Kiyonori Kuroda ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Thermal Treatment ◽  
Theoretical Calculations ◽  
Single Walled Carbon Nanotubes ◽  
Band Gaps ◽  
Thermodynamic Control ◽  
Single Walled Carbon ◽  
Pl Spectra ◽  
Quantum Defects ◽  
Walled Carbon Nanotubes

We designed and synthesized SWNT quantum defects, the band gaps of which can be tuned by thermal treatment. Theoretical calculations suggest that the change in the PL spectra can be explained by isomerization from kinetic to thermodynamic products.

The Effects of Curvature, Relaxation and Mechanical Deformation on the Electronic Properties of Single-Walled Carbon Nanotubes

2008 ◽  
Author(s):  
Dong Qian ◽  
Qingjin Zheng
Keyword(s):  
Carbon Nanotubes ◽  
Electronic Properties ◽  
Single Walled Carbon Nanotubes ◽  
Mechanical Deformation ◽  
Band Gaps ◽  
Coarse Grained ◽  
Small Radius ◽  
Single Walled Carbon ◽  
Curvature Effects ◽  
Walled Carbon Nanotubes

We present a framework based on coupling FEM/continuum method with quantum mechanical model for studying the effects of curvature, relaxation and mechanical deformation on the electronic properties of single-walled carbon nanotubes. The rehybridization and curvature effects, which are important for carbon nanotubes with both rotational and helical symmetries, is incorporated in the developed coarse grained model as an extension to the Bloch’s theorem. Based on extensive studies, we report the significant contribution of curvature-induced rehybridization, relaxation effect to the finite band gaps in small radius zigzag and chiral tubes that were predicted to be metallic (mod (n-m, 3) = 0) from the graphite-based models. Our calculation indicates the significant changes in the band gaps as linear functions of the applied tensile strain with the exception of armchair tubes. Transitions from metal to semi-conductor and vice versa are observed. Similar switch in conducting behavior is also present in the twisting case, while the band structures are observed to be insensitive to the applied bending. The deformation-band gap relation obtained in this work differs significantly with prior studies that use either phenomenological relations or empirical potentials for resolving the bond geometry. These differences highlight the importance of concurrent coupling.

Oxygen Doping Modifies Near-Infrared Band Gaps in Fluorescent Single-Walled Carbon Nanotubes

Science ◽  
2010 ◽  
Vol 330 (6011) ◽  
pp. 1656-1659 ◽  
Author(s):  
S. Ghosh ◽  
S. M. Bachilo ◽  
R. A. Simonette ◽  
K. M. Beckingham ◽  
R. B. Weisman
Keyword(s):  
Carbon Nanotubes ◽  
Near Infrared ◽  
Single Walled Carbon Nanotubes ◽  
Band Gaps ◽  
Infrared Band ◽  
Oxygen Doping ◽  
Single Walled Carbon ◽  
Walled Carbon Nanotubes
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