Theoretical investigation of quasiparticle band structures and optical spectra of large-diameter semiconducting single-walled carbon nanotubes

Due to the difficulty in the selective synthesis of semiconductor (s-) and metal (m-) single-walled carbon nanotubes (SWCNTs), we still need to explore the selective extraction technology of s-SWCNTs. Using Poly[9-(1-octylonoyl)-9H-carbazole-2,7-diyl] (PCz) extraction of s-SWCNTs has attracted extensive attention in recent years, because it can selective extraction of large-diameter s-SWCNTs with high purity. However, influence of the molecular weight of this polymer on the s-SWCNTs selective extraction properties remains unclear. In this study, we used PCz with different average molecular weights to study the ability of selective extraction s-SWCNTs from pristine arc discharge carbon nanotubes. Spectra studies indicate that compared to the PCz with lower molecular weight, the PCz with higher molecular weight has better selective extraction ability, and can help to obtain s-SWCNTs with higher purity (>99%) and high yield. FETs devices have been prepared by s-SWCNTs obtained via PCz with higher molecular weight exhibit higher on/off ratio, lower off current and lower subthreshold swing. This work offers a reference of the design and synthesis of PCz polymer that performs sufficient selective ability in extracting s-SWCNTs with promising applications.

Download Full-text

Theoretical Investigation on the Electronic Transport Properties of Iron(II) Porphyrin for CO Sensing with Single-walled Carbon Nanotubes

Chemistry Letters ◽

10.1246/cl.140016 ◽

2014 ◽

Vol 43 (5) ◽

pp. 735-737 ◽

Cited By ~ 2

Author(s):

Yuanyuan He ◽

Jinjiang Zhang ◽

Jianwei Zhao

Keyword(s):

Carbon Nanotubes ◽

Transport Properties ◽

Theoretical Investigation ◽

Electronic Transport ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

Electronic Transport Properties ◽

Walled Carbon Nanotubes

Download Full-text

High performance thin film transistors based on regioregular poly(3-dodecylthiophene)-sorted large diameter semiconducting single-walled carbon nanotubes

Nanoscale ◽

10.1039/c3nr34304a ◽

2013 ◽

Vol 5 (10) ◽

pp. 4156 ◽

Cited By ~ 38

Author(s):

Chao Wang ◽

Long Qian ◽

Wenya Xu ◽

Shuhong Nie ◽

Weibing Gu ◽

...

Keyword(s):

Thin Film ◽

Carbon Nanotubes ◽

Thin Film Transistors ◽

High Performance ◽

Large Diameter ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

Regioregular Poly ◽

Walled Carbon Nanotubes

Download Full-text

BORON/PHOSPHORUS CO-DOPING IN ZIGZAG SINGLE-WALLED CARBON NANOTUBES: A FIRST-PRINCIPLES STUDY

Modern Physics Letters B ◽

10.1142/s0217984913501145 ◽

2013 ◽

Vol 27 (15) ◽

pp. 1350114

Author(s):

FUSHENG LUO ◽

QINGYI SHAO ◽

LIXIA ZHANG ◽

JUAN ZHANG ◽

ZHONGLIANG PAN

Keyword(s):

Carbon Nanotubes ◽

First Principles ◽

Function Theory ◽

Energy Gap ◽

Single Walled Carbon Nanotubes ◽

Band Structures ◽

Single Walled Carbon ◽

Co Doping ◽

Walled Carbon Nanotubes ◽

Formation Energies

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.

Download Full-text

A theoretical investigation of the effect of adsorbed NO2 molecules on electronic transport in semiconducting single-walled carbon nanotubes

Carbon ◽

10.1016/j.carbon.2010.09.062 ◽

2011 ◽

Vol 49 (3) ◽

pp. 955-965 ◽

Cited By ~ 20

Author(s):

Shang-Chieh Hsieh ◽

Shih-Min Wang ◽

Feng-Yin Li

Keyword(s):

Carbon Nanotubes ◽

Theoretical Investigation ◽

Electronic Transport ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

Download Full-text

Manufacture of Networks from Large Diameter Single-Walled Carbon Nanotubes of Particular Electrical Character

Nanomaterials ◽

10.3390/nano9040614 ◽

2019 ◽

Vol 9 (4) ◽

pp. 614 ◽

Cited By ~ 2

Author(s):

Edyta Turek ◽

Bogumila Kumanek ◽

Slawomir Boncel ◽

Dawid Janas

Keyword(s):

Carbon Nanotubes ◽

Large Diameter ◽

Single Walled Carbon Nanotubes ◽

Phase Extraction ◽

Free Standing ◽

Two Phase ◽

Trade Off ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes ◽

Aqueous Two Phase Extraction

We have demonstrated that the aqueous two-phase extraction (ATPE) can differentiate between large diameter single-walled carbon nanotubes (CNTs) by electrical character. Introduction of “hydration modulators” to the ATPE machinery has enabled us to isolate metallic and semiconducting CNTs with ease. We have also shown that often there is a trade-off between the purity of the obtained fractions and the ability to separate both metallic and semiconducting CNTs at the same time. To isolate the separated CNTs from the matrices, we have proposed a method based on precipitation and hydrolysis, which can eliminate the need to use lengthy dialysis routines. In the final step, we prepared thin free-standing films from the sorted material and probed how electrical charge is transported through such macroscopic ensembles.

Download Full-text