Band Gap Opening in the Cycloaddition Functionalization of Carbon Nanotubes

2012 ◽  
Vol 1 (4) ◽  
pp. 524-528 ◽  
Author(s):  
Olayinka O. Ogunro ◽  
Chantel I. Nicolas ◽  
Eric A. Mintz ◽  
Xiao-Qian Wang
Keyword(s):  
Carbon Nanotubes ◽  
Band Gap ◽  
Gap Opening ◽  
Functionalization Of Carbon Nanotubes

Band-Gap Opening in Metallic Single-Walled Carbon Nanotubes by Encapsulation of an Organic Salt

2017 ◽  
Vol 129 (40) ◽  
pp. 12408-12412
Author(s):  
Belén Nieto-Ortega ◽  
Julia Villalva ◽  
Mariano Vera-Hidalgo ◽  
Luisa Ruiz-González ◽  
Enrique Burzurí ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Band Gap ◽  
Single Walled Carbon Nanotubes ◽  
Organic Salt ◽  
Single Walled Carbon ◽  
Gap Opening ◽  
Walled Carbon Nanotubes

Band-gap opening in metallic carbon nanotubes adsorbed on H∕Si(001)

2006 ◽  
Vol 89 (2) ◽  
pp. 023124 ◽  
Author(s):  
Jung-Yup Lee ◽  
Jun-Hyung Cho
Keyword(s):  
Carbon Nanotubes ◽  
Band Gap ◽  
Gap Opening

Band-Gap Opening in Metallic Single-Walled Carbon Nanotubes by Encapsulation of an Organic Salt

2017 ◽  
Vol 56 (40) ◽  
pp. 12240-12244 ◽  
Author(s):  
Belén Nieto-Ortega ◽  
Julia Villalva ◽  
Mariano Vera-Hidalgo ◽  
Luisa Ruiz-González ◽  
Enrique Burzurí ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Band Gap ◽  
Single Walled Carbon Nanotubes ◽  
Organic Salt ◽  
Single Walled Carbon ◽  
Gap Opening ◽  
Walled Carbon Nanotubes

Direct Functionalization of Carbon Nanotubes with Phosphate

2016 ◽  
Vol 13 (10) ◽  
pp. 7640-7648 ◽  
Author(s):  
Ana M Torres ◽  
Lina M Hoyos ◽  
John J Bustamante ◽  
Andrés M Garay-Tapia
Keyword(s):  
Carbon Nanotubes ◽  
Band Gap ◽  
Density Functional ◽  
Dihydrogen Phosphate ◽  
Band Structures ◽  
Semiconductor Behavior ◽  
Direct Functionalization ◽  
Functionalization Of Carbon Nanotubes ◽  
Walled Carbon Nanotubes ◽  
Phosphate Groups

With the goal of functionalizing carbon nanotubes for possible applications in biological and biomedical environments, we investigated the interactions between perfect and defective single walled carbon nanotubes (SWCNTs) and phosphate groups using density functional theory (DFT). The phosphate groups included phosphoric acid (H3PO4) and dihydrogen phosphate (H2PO4). Defects included monovacancy, divacancy, and Stone-Wales (SW) defects. Our results revealed that with H3PO4, functionalization occurs by an electrostatic interaction, and no significant changes were observed in the band structures or in the band gap. With H2PO4, functionalization occurs through C–O interaction, and is mainly favored in the presence of a monovacancy or SW defect. With a monovancy defect, the nanotube preserves its sp2 hybridization, whereas with divacancy and SW defects, local sp3 hybridization occurs. Functionalization with H2PO4 resulted in changes in the band structures and the band gap of perfect and defective (10, 0) SWCNTs. These changes are caused by electronic localization states on the Fermi level, but the semiconductor behavior of nanotubes is preserved.

scholarly journals Band gap opening and semiconductor–metal phase transition in (n, n) single-walled carbon nanotubes with distinctive boron–nitrogen line defect

2016 ◽  
Vol 18 (6) ◽  
pp. 4643-4651 ◽  
Author(s):  
Ming Qiu ◽  
Yuanyuan Xie ◽  
Xianfeng Gao ◽  
Jianyang Li ◽  
Yelin Deng ◽  
...  
Keyword(s):  
Phase Transition ◽  
Carbon Nanotubes ◽  
Band Gap ◽  
Single Walled Carbon Nanotubes ◽  
Line Defect ◽  
New Class ◽  
Gap Opening ◽  
Metal Phase Transition ◽  
Walled Carbon Nanotubes ◽  
Boron Nitrogen

A new class of semiconducting armchair SWCNTs with a distinctive BN line defect are investigated for the band gap opening, continuous mechanical and electrical modulating.

Opening of large band gaps in metallic carbon nanotubes by mannose-functionalized dendrimers: experiments and theory

2018 ◽  
Vol 6 (24) ◽  
pp. 6483-6488 ◽  
Author(s):  
K. S. Vasu ◽  
Debabrata Pramanik ◽  
Sudipta Kundu ◽  
Sridevi S. ◽  
N. Jayaraman ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Band Gap ◽  
Van Der Waals ◽  
Band Gaps ◽  
Van Der Waals Interactions ◽  
Gap Opening

Wrapping of mannose-attached PETIM dendrimers around metallic SWNTsvianon-covalent and van der Waals interactions leads to a large band gap opening.

scholarly journals Clicked Bifunctional Dendrimeric and Cyclopeptidic Addressable Redox Scaffolds for the Functionalization of Carbon Nanotubes with Redox Molecules and Enzymes

Langmuir ◽  
2021 ◽  
Vol 37 (3) ◽  
pp. 1001-1011
Author(s):  
Solène Gentil ◽  
Carlo Pifferi ◽  
Pierre Rousselot-Pailley ◽  
Thierry Tron ◽  
Olivier Renaudet ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Functionalization Of Carbon Nanotubes ◽  
Redox Molecules

scholarly journals Self-Photoluminescence of Unzipped Multi-Walled Carbon Nanotubes

Nanomaterials ◽  
2021 ◽  
Vol 11 (7) ◽  
pp. 1632
Author(s):  
Mengyao Chen ◽  
Xiaohua Qi ◽  
Wenna Zhang ◽  
Na Yang ◽  
Di Yang ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Band Gap ◽  
Hummers Method ◽  
Light Region ◽  
Munk Function ◽  
Pristine Cnts ◽  
Multi Walled Carbon Nanotubes ◽  
Walled Carbon Nanotubes ◽  
Modified Hummers Method ◽  
Etching Effect

Unzipping of carbon nanotubes (CNTs) has been widely explored to obtain new nanocarbon structures with promising properties. In this work, we report that unzipping of CNTs according to the well-established modified Hummers method produces unzipped CNTs (uCNTs) that exhibit self-photoluminescence that depends on the diameter of pristine CNTs. The uCNTs were characterized using FTIR spectroscopy, XRD, XPS, and Raman spectroscopy indicating that unzipping is accompanied by the introduction of defects and oxygen-containing functional groups. The morphology of CNTs and uCNTs was determined by TEM showing longitude unzipping of CNTs. Our study shows that increasing the diameter of pristine CNTs results in decreasing the edge etching effect and decreasing the functionality of uCNTs. Based on the UV-Vis spectra, the band gap of uCNTs was calculated using the Kubelka–Munk function. The band gap of uCNTs increased with decreasing diameter of pristine CNTs. The uCNTs exhibited photoluminescence with a good emission in the visible light region. The uCNTs with the largest band gap and the highest oxygen content had the strongest fluorescence intensity. Moreover, different metal ions produced different degrees of fluorescence quenching for uCNT-15, which verified the self-photoluminescence of uCNTs.

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