Chemical Reactivity of Single-Walled Carbon Nanotubes to Amidogen from Density Functional Calculations

Mingwen Zhao; Yueyuan Xia; James P. Lewis; Liangmo Mei

doi:10.1021/jp037055i

Chemical Reactivity of Single-Walled Carbon Nanotubes to Amidogen from Density Functional Calculations

The Journal of Physical Chemistry B ◽

10.1021/jp037055i ◽

2004 ◽

Vol 108 (28) ◽

pp. 9599-9603 ◽

Cited By ~ 29

Author(s):

Mingwen Zhao ◽

Yueyuan Xia ◽

James P. Lewis ◽

Liangmo Mei

Keyword(s):

Carbon Nanotubes ◽

Density Functional Calculations ◽

Density Functional ◽

Chemical Reactivity ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

Defect-induced chemisorption of nitrogen oxides on (10,0) single-walled carbon nanotubes: Insights from density functional calculations

The Journal of Chemical Physics ◽

10.1063/1.3226572 ◽

2009 ◽

Vol 131 (11) ◽

pp. 114706 ◽

Cited By ~ 16

Author(s):

Shaobin Tang ◽

Zexing Cao

Keyword(s):

Carbon Nanotubes ◽

Nitrogen Oxides ◽

Density Functional Calculations ◽

Density Functional ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

Density Functional Calculations of the13C NMR Chemical Shifts in (9,0) Single-Walled Carbon Nanotubes.

ChemInform ◽

10.1002/chin.200450006 ◽

2004 ◽

Vol 35 (50) ◽

Author(s):

Eva Zurek ◽

Jochen Autschbach

Keyword(s):

Carbon Nanotubes ◽

Density Functional Calculations ◽

Density Functional ◽

Chemical Shifts ◽

Single Walled Carbon Nanotubes ◽

Nmr Chemical Shifts ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

Doping effects of B and N on hydrogen adsorption in single-walled carbon nanotubes through density functional calculations

Carbon ◽

10.1016/j.carbon.2005.10.016 ◽

2006 ◽

Vol 44 (5) ◽

pp. 939-947 ◽

Cited By ~ 141

Author(s):

Zhen Zhou ◽

Xueping Gao ◽

Jie Yan ◽

Deying Song

Keyword(s):

Carbon Nanotubes ◽

Density Functional Calculations ◽

Density Functional ◽

Hydrogen Adsorption ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

Doping Effects ◽

Walled Carbon Nanotubes

Density Functional Calculations of the13C NMR Chemical Shifts in (9,0) Single-Walled Carbon Nanotubes

Journal of the American Chemical Society ◽

10.1021/ja047941m ◽

2004 ◽

Vol 126 (40) ◽

pp. 13079-13088 ◽

Cited By ~ 126

Author(s):

Eva Zurek ◽

Jochen Autschbach

Keyword(s):

Carbon Nanotubes ◽

Density Functional Calculations ◽

Density Functional ◽

Chemical Shifts ◽

Single Walled Carbon Nanotubes ◽

Nmr Chemical Shifts ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

Structural defects on (5,5) single-walled carbon nanotubes: Impact on their electronic properties and chemical reactivity from a DFT perspective

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2021.114874 ◽

2021 ◽

pp. 114874

Author(s):

E. García-Hernández ◽

E. Chigo-Anota

Keyword(s):

Carbon Nanotubes ◽

Electronic Properties ◽

Chemical Reactivity ◽

Single Walled Carbon Nanotubes ◽

Structural Defects ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

A Density Functional Study on Transition-Metal-Coated Single-Walled Carbon Nanotubes

The Journal of Physical Chemistry C ◽

10.1021/jp7108253 ◽

2008 ◽

Vol 112 (25) ◽

pp. 9128-9132 ◽

Cited By ~ 15

Author(s):

Guo Wang ◽

Yuanhe Huang

Keyword(s):

Carbon Nanotubes ◽

Transition Metal ◽

Density Functional ◽

Single Walled Carbon Nanotubes ◽

Functional Study ◽

Density Functional Study ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

Density functional study of Al/N co-doped (10,0) zigzag single-walled carbon nanotubes as CO sensor

Computational Materials Science ◽

10.1016/j.commatsci.2013.10.021 ◽

2014 ◽

Vol 82 ◽

pp. 497-502 ◽

Cited By ~ 17

Author(s):

Masood Hamadanian ◽

Forough Kalantari Fotooh

Keyword(s):

Carbon Nanotubes ◽

Density Functional ◽

Single Walled Carbon Nanotubes ◽

Functional Study ◽

Density Functional Study ◽

Single Walled Carbon ◽

Co Sensor ◽

Walled Carbon Nanotubes ◽

Co Doped

Density-functional-theory calculations of charged single-walled carbon nanotubes

Physical Review B ◽

10.1103/physrevb.66.115415 ◽

2002 ◽

Vol 66 (11) ◽

Cited By ~ 23

Author(s):

Ji Luo ◽

L.-M. Peng ◽

Z. Q. Xue ◽

J. L. Wu

Keyword(s):

Carbon Nanotubes ◽

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Single Walled Carbon Nanotubes ◽

Functional Theory ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

Irradiation effects in single-walled carbon nanotubes: Density-functional theory based treatments

Computational Materials Science ◽

10.1016/j.commatsci.2014.06.015 ◽

2014 ◽

Vol 93 ◽

pp. 15-21 ◽

Cited By ~ 5

Author(s):

Chao Zhang ◽

Fei Mao ◽

Jinxia Dai ◽

Feng-Shou Zhang

Keyword(s):

Carbon Nanotubes ◽

Density Functional Theory ◽

Density Functional ◽

Single Walled Carbon Nanotubes ◽

Irradiation Effects ◽

Functional Theory ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

Increased chemical reactivity of single-walled carbon nanotubes on oxide substrates: In situ imaging and effect of electron and laser irradiations

Nano Research ◽

10.1007/s12274-015-0933-5 ◽

2015 ◽

Vol 9 (2) ◽

pp. 517-529 ◽

Cited By ~ 6

Author(s):

Hasan-al Mehedi ◽

Johann Ravaux ◽

Khadija Yazda ◽

Thierry Michel ◽

Saïd Tahir ◽

...

Keyword(s):

Carbon Nanotubes ◽

Chemical Reactivity ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

Oxide Substrates ◽

Walled Carbon Nanotubes ◽

In Situ Imaging