Electronic Structure Control of Single-Walled Carbon Nanotube Functionalization

Science ◽  
2003 ◽  
Vol 301 (5639) ◽  
pp. 1519-1522 ◽  
Author(s):  
M. S. Strano
Keyword(s):  
Electronic Structure ◽  
Carbon Nanotube ◽  
Single Walled Carbon Nanotube ◽  
Structure Control ◽  
Single Walled Carbon

scholarly journals Computational Investigations of Structural Stability, Electronic Structure, and Charge Density Analysis of Boron-Doped Single-Walled Carbon Nanotube

2021 ◽  
Author(s):  
Riri Jonuarti ◽  
  Suprijadi
Keyword(s):  
Electronic Structure ◽  
Carbon Nanotube ◽  
Charge Density ◽  
Electronic Properties ◽  
Structural Stability ◽  
Density Functional ◽  
Dft Method ◽  
Single Walled Carbon Nanotube ◽  
Single Walled Carbon ◽  
Boron Doped

We perform the density functional theory (DFT) method to investigate the structural stability, the electronic structure, and the charge density distribution and transfer of the eight boron-doped (4, 0) single-walled carbon nanotube (B-doped SWCNT) systems. The eight B-doped (4, 0) SWCNT systems are distinguished by the number of B atoms substituting C atoms in a (4, 0) SWCNT structure. We find that all B-doped (4, 0) SWCNT structures are formed spontaneously marked by their negative formation energy. Also, all of these new systems have the stable structures. Then, surprisingly, we invent that the substitution doping B atoms retains the electronic properties of (4, 0) SWCNT. This is in contrast to other cases of impurities which alter the electronic properties of the doped structures. In addition, the distribution of charges between boron and carbon in the B-doped (4, 0) SWCNT structures indicates that there are electrostatic attractions between these two types of atoms. It shows that the presence of B atoms can be accepted by a defective (4, 0) SWCNT in order to establish a new integrated B-doped SWCNT structure.

First-order hyperpolarizabilities of chiral, polymer-wrapped single-walled carbon nanotubes

2016 ◽  
Vol 52 (82) ◽  
pp. 12206-12209 ◽  
Author(s):  
Griet Depotter ◽  
Jean-Hubert Olivier ◽  
Mary G. Glesner ◽  
Pravas Deria ◽  
Yusong Bai ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Electronic Structure ◽  
Carbon Nanotube ◽  
Single Walled Carbon Nanotubes ◽  
Single Walled Carbon Nanotube ◽  
Single Walled Carbon ◽  
First Order ◽  
Walled Carbon Nanotubes ◽  
Chiral Polymer

Manipulation of polymer electronic structure provides a new means to modulate the first-order hyperpolarizabilities (βHRS values) of chiral, individualized polymer-wrapped single-walled carbon nanotube superstructures at a telecommunication-relevant wavelength (1280 nm).

Tuning the electronic structure of single-walled carbon nanotube by high-pressure H2 exposure

2018 ◽  
Vol 30 (6) ◽  
pp. 065201
Author(s):  
Hojin Kang ◽  
Sung Ju Hong ◽  
Min Park ◽  
Hyun-Seok Jang ◽  
Kiin Nam ◽  
...  
Keyword(s):  
High Pressure ◽  
Electronic Structure ◽  
Carbon Nanotube ◽  
Single Walled Carbon Nanotube ◽  
Single Walled Carbon
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