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.

Control of the photoluminescence properties of single-walled carbon nanotubes by alkylation and subsequent thermal treatment

2015 ◽  
Vol 51 (70) ◽  
pp. 13462-13465 ◽  
Author(s):  
Yutaka Maeda ◽  
Yuya Takehana ◽  
Michio Yamada ◽  
Mitsuaki Suzuki ◽  
Tatsuya Murakami
Keyword(s):  
Carbon Nanotubes ◽  
Thermal Treatment ◽  
Single Walled Carbon Nanotubes ◽  
Photoluminescence Properties ◽  
Single Walled Carbon ◽  
Subsequent Thermal Treatment ◽  
Walled Carbon Nanotubes

Alkylation and subsequent thermal treatment of SWNTs induces a new bright PL peak in the NIR region.

scholarly journals Insights into N-doping in single-walled carbon nanotubes for enhanced activation of superoxides: a mechanistic study

2015 ◽  
Vol 51 (83) ◽  
pp. 15249-15252 ◽  
Author(s):  
Xiaoguang Duan ◽  
Zhimin Ao ◽  
Hongqi Sun ◽  
Li Zhou ◽  
Guoxiu Wang ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Theoretical Calculations ◽  
Advanced Oxidation ◽  
Single Walled Carbon Nanotubes ◽  
Mechanistic Study ◽  
Nitrogen Doped ◽  
Single Walled Carbon ◽  
N Doping ◽  
Walled Carbon Nanotubes

Nitrogen-doped SWCNTs with enhanced carbocatalysis were investigated in the activation of superoxides by advanced oxidation and theoretical calculations.

Carboxylic acids as anchoring components on aluminum oxide for the alignment relay technique of single-walled carbon nanotubes

2021 ◽  
Vol 45 (12) ◽  
pp. 5340-5349
Author(s):  
Monika R. Snowdon ◽  
Shirley Wang ◽  
Nour Mashmoushi ◽  
Scott W. Hopkins ◽  
Derek J. Schipper
Keyword(s):  
Carbon Nanotubes ◽  
Carboxylic Acid ◽  
Aluminum Oxide ◽  
Carboxylic Acids ◽  
Theoretical Calculations ◽  
Single Walled Carbon Nanotubes ◽  
Single Walled Carbon ◽  
Walled Carbon Nanotubes

We illustrate using a carboxylic acid anchoring component in the Alignment Relay Technique on silica and alumina surfaces. We present theoretical calculations on the interactions between the iptycenes' various pockets and the carbon nanotubes.

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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