Chemical Functionalization of Carbon Nanotubes by Carboxyl Groups on Stone-Wales Defects:  A Density Functional Theory Study

Chenchen Wang; Gang Zhou; Haitao Liu; Jian Wu; Yong Qiu; Bing-Lin Gu; Wenhui Duan

doi:10.1021/jp060412f

Chemical Functionalization of Carbon Nanotubes by Carboxyl Groups on Stone-Wales Defects: A Density Functional Theory Study

The Journal of Physical Chemistry B ◽

10.1021/jp060412f ◽

2006 ◽

Vol 110 (21) ◽

pp. 10266-10271 ◽

Cited By ~ 109

Author(s):

Chenchen Wang ◽

Gang Zhou ◽

Haitao Liu ◽

Jian Wu ◽

Yong Qiu ◽

...

Keyword(s):

Carbon Nanotubes ◽

Density Functional Theory ◽

Density Functional ◽

Carboxyl Groups ◽

Density Functional Theory Study ◽

Functional Theory ◽

Chemical Functionalization ◽

Functionalization Of Carbon Nanotubes

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A Density Functional Theory Study of Chemical Functionalization of Carbon Nanotubes; Toward Site Selective Functionalization

Electronic Properties of Carbon Nanotubes ◽

10.5772/16618 ◽

2011 ◽

Author(s):

Takashi Yumura

Keyword(s):

Carbon Nanotubes ◽

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Chemical Functionalization ◽

Selective Functionalization ◽

Functionalization Of Carbon Nanotubes ◽

Site Selective

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Chemical Functionalization of Single-Walled Carbon Nanotubes (SWNTs) by Aryl Groups: A Density Functional Theory Study

The Journal of Physical Chemistry C ◽

10.1021/jp8030607 ◽

2008 ◽

Vol 112 (34) ◽

pp. 13141-13149 ◽

Cited By ~ 28

Author(s):

Jing-xiang Zhao ◽

Yi-hong Ding

Keyword(s):

Carbon Nanotubes ◽

Density Functional Theory ◽

Density Functional ◽

Single Walled Carbon Nanotubes ◽

Density Functional Theory Study ◽

Functional Theory ◽

Chemical Functionalization ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

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Effects of O3 Adsorption on the Emission Properties of Single-Wall Carbon Nanotubes: A Density Functional Theory Study

Computational Science – ICCS 2006 - Lecture Notes in Computer Science ◽

10.1007/11758501_52 ◽

2006 ◽

pp. 372-378

Author(s):

B. Akdim ◽

T. Kar ◽

D. A. Shiffler ◽

X. Duan ◽

R. Pachter

Keyword(s):

Carbon Nanotubes ◽

Density Functional Theory ◽

Density Functional ◽

Single Wall Carbon Nanotubes ◽

Density Functional Theory Study ◽

Functional Theory ◽

Single Wall Carbon ◽

Emission Properties

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Adsorption of M Species and M2 Dimers (M = Cu, Ag, and Au) on the Pristine and Defective Single-Walled Carbon Nanotubes: A Density Functional Theory Study

The Journal of Physical Chemistry C ◽

10.1021/jp109098q ◽

2010 ◽

Vol 114 (49) ◽

pp. 21327-21337 ◽

Cited By ~ 8

Author(s):

Chan Inntam ◽

Jumras Limtrakul

Keyword(s):

Carbon Nanotubes ◽

Density Functional Theory ◽

Density Functional ◽

Single Walled Carbon Nanotubes ◽

Density Functional Theory Study ◽

Functional Theory ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

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Chemical functionalization of graphene by carbene cycloaddition: A density functional theory study

Applied Surface Science ◽

10.1016/j.apsusc.2014.05.071 ◽

2014 ◽

Vol 311 ◽

pp. 377-383 ◽

Cited By ~ 20

Author(s):

Wenyan Zan

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Chemical Functionalization

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Chemically reactive species remain alive inside carbon nanotubes: a density functional theory study

Physical Chemistry Chemical Physics ◽

10.1039/c0cp00796j ◽

2011 ◽

Vol 13 (1) ◽

pp. 337-346 ◽

Cited By ~ 12

Author(s):

Takashi Yumura

Keyword(s):

Carbon Nanotubes ◽

Density Functional Theory ◽

Density Functional ◽

Reactive Species ◽

Density Functional Theory Study ◽

Functional Theory ◽

Chemically Reactive Species

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Changing the chirality of single-wall carbon nanotubes during epitaxial growth : A density functional theory study

New Carbon Materials ◽

10.1016/s1872-5805(16)60030-6 ◽

2016 ◽

Vol 31 (5) ◽

pp. 525-531 ◽

Cited By ~ 1

Author(s):

Wei Shen ◽

Feng Li ◽

Chang Liu ◽

Li-chang Yin

Keyword(s):

Carbon Nanotubes ◽

Density Functional Theory ◽

Epitaxial Growth ◽

Density Functional ◽

Single Wall Carbon Nanotubes ◽

Density Functional Theory Study ◽

Functional Theory ◽

Single Wall Carbon

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Effect of Haeckelite Structure on Optical Properties of Carbon Nanotubes Bundles: Density Functional Theory Study

Journal of Advanced Physics ◽

10.1166/jap.2018.1386 ◽

2018 ◽

Vol 7 (1) ◽

pp. 33-42 ◽

Cited By ~ 8

Author(s):

Jamal A. Talla ◽

Abdelrahman A. Ghozlan

Keyword(s):

Carbon Nanotubes ◽

Density Functional Theory ◽

Optical Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Interaction between Glycine/Glycine Radicals and Intrinsic/Boron-Doped (8,0) Single-Walled Carbon Nanotubes: A Density Functional Theory Study

The Journal of Physical Chemistry B ◽

10.1021/jp804965x ◽

2008 ◽

Vol 112 (48) ◽

pp. 15442-15449 ◽

Cited By ~ 35

Author(s):

Wenming Sun ◽

Yuxiang Bu ◽

Yixuan Wang

Keyword(s):

Carbon Nanotubes ◽

Density Functional Theory ◽

Density Functional ◽

Single Walled Carbon Nanotubes ◽

Density Functional Theory Study ◽

Functional Theory ◽

Single Walled Carbon ◽

Boron Doped ◽

Walled Carbon Nanotubes

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$$\hbox {N}_{2}$$ N 2 adsorption on the inside and outside the single-walled carbon nanotubes by density functional theory study

Pramana ◽

10.1007/s12043-017-1498-5 ◽

2017 ◽

Vol 90 (1) ◽

Cited By ~ 2

Author(s):

Fahimeh Shojaie

Keyword(s):

Carbon Nanotubes ◽

Density Functional Theory ◽

Density Functional ◽

Single Walled Carbon Nanotubes ◽

Density Functional Theory Study ◽

Functional Theory ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

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