First principles study on the boron–nitrogen domains segregated within (5,5) and (8,0) single-wall carbon nanotubes: Formation energy, electronic structure and reactivity

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2012.07.004 ◽

2012 ◽

Vol 996 ◽

pp. 11-20 ◽

Cited By ~ 12

Author(s):

Nabanita Saikia ◽

Ramesh C. Deka

Keyword(s):

Carbon Nanotubes ◽

Electronic Structure ◽

First Principles ◽

Formation Energy ◽

Single Wall Carbon Nanotubes ◽

Single Wall Carbon ◽

First Principles Study ◽

Boron Nitrogen

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Vibrational Properties of Single-Wall Carbon Nanotubes: A First-Principles Study

Journal of Nanoscience and Nanotechnology ◽

10.1166/jnn.2007.716 ◽

2007 ◽

Vol 7 (6) ◽

pp. 1787-1792 ◽

Cited By ~ 14

Author(s):

Mousumi Upadhyay Kahaly ◽

UmeshV. Waghmare

Keyword(s):

Carbon Nanotubes ◽

First Principles ◽

Single Wall Carbon Nanotubes ◽

Vibrational Properties ◽

Single Wall Carbon ◽

First Principles Study

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The effect of humidity on the adsorption of the hydrazine on single-wall carbon nanotubes: First-principles electronic structure calculations

Chemical Physics Letters ◽

10.1016/j.cplett.2011.10.062 ◽

2011 ◽

Vol 518 ◽

pp. 93-98 ◽

Cited By ~ 10

Author(s):

M. Yu ◽

W.Q. Tian ◽

C.S. Jayanthi ◽

S.Y. Wu

Keyword(s):

Carbon Nanotubes ◽

Electronic Structure ◽

First Principles ◽

Electronic Structure Calculations ◽

Single Wall Carbon Nanotubes ◽

Single Wall Carbon ◽

Structure Calculations

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First Principles Study of Work Functions of Single Wall Carbon Nanotubes

Physical Review Letters ◽

10.1103/physrevlett.94.236602 ◽

2005 ◽

Vol 94 (23) ◽

Cited By ~ 172

Author(s):

Bin Shan ◽

Kyeongjae Cho

Keyword(s):

Carbon Nanotubes ◽

First Principles ◽

Single Wall Carbon Nanotubes ◽

Single Wall Carbon ◽

First Principles Study ◽

Work Functions

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Catalytic effects of calcium and potassium on a curved char surface in fuel reburning: A first-principles study on the adsorption of nitric oxide on single-wall carbon nanotubes with metal decoration

Energy ◽

10.1016/j.energy.2017.02.129 ◽

2017 ◽

Vol 125 ◽

pp. 459-469 ◽

Cited By ~ 7

Author(s):

Lei Liu ◽

Jing Jin ◽

Fengxiao Hou ◽

Shengjuan Li ◽

Chang-Ha Lee

Keyword(s):

Nitric Oxide ◽

Carbon Nanotubes ◽

First Principles ◽

Single Wall Carbon Nanotubes ◽

Single Wall Carbon ◽

First Principles Study ◽

Metal Decoration ◽

Catalytic Effects

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Electron transport through metallic single wall carbon nanotubes with adsorbed NO2 and NH3 molecules: A first-principles study

Chemical Physics Letters ◽

10.1016/j.cplett.2014.06.038 ◽

2014 ◽

Vol 609 ◽

pp. 76-81 ◽

Cited By ~ 7

Author(s):

S. Sivasathya ◽

D. John Thiruvadigal ◽

S. Mathi Jaya

Keyword(s):

Carbon Nanotubes ◽

Electron Transport ◽

First Principles ◽

Single Wall Carbon Nanotubes ◽

Single Wall Carbon ◽

First Principles Study

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First-principles study of the interactions of Ti and Zr with the tips of open-ended single-wall carbon nanotubes

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/18/46/017 ◽

2006 ◽

Vol 18 (46) ◽

pp. 10521-10528 ◽

Cited By ~ 6

Author(s):

Tiezhu Meng ◽

Chong-Yu Wang ◽

Shan-Ying Wang

Keyword(s):

Carbon Nanotubes ◽

First Principles ◽

Single Wall Carbon Nanotubes ◽

Single Wall Carbon ◽

First Principles Study

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Statistical analysis of the electronic structure of single wall carbon nanotubes in buckypaper

The 13th international winterschool on electronic properties of novel materials- science and technology of molecular nanostructures ◽

10.1063/1.59858 ◽

1999 ◽

Author(s):

S. Eisebitt ◽

I. Wirth ◽

G. Kann ◽

W. Eberhardt

Keyword(s):

Carbon Nanotubes ◽

Electronic Structure ◽

Statistical Analysis ◽

Single Wall Carbon Nanotubes ◽

Single Wall Carbon

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Study on the electronic structure and hydrogen adsorption by transition metal decorated single wall carbon nanotubes

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/24/18/185505 ◽

2012 ◽

Vol 24 (18) ◽

pp. 185505 ◽

Cited By ~ 13

Author(s):

P Modak ◽

Brahmananda Chakraborty ◽

S Banerjee

Keyword(s):

Carbon Nanotubes ◽

Electronic Structure ◽

Transition Metal ◽

Hydrogen Adsorption ◽

Single Wall Carbon Nanotubes ◽

Single Wall Carbon

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First-principles study of electronic structure of deformed carbon nanotubes

Science and Technology of Advanced Materials ◽

10.1016/j.stam.2006.12.008 ◽

2007 ◽

Vol 8 (3) ◽

pp. 200-203 ◽

Cited By ~ 6

Author(s):

Kazuchika Iwami ◽

Hidekazu Goto ◽

Kikuji Hirose ◽

Tomoya Ono

Keyword(s):

Carbon Nanotubes ◽

Electronic Structure ◽

First Principles ◽

First Principles Study

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Electronic structure of Eu atomic wires encapsulated inside single-wall carbon nanotubes

Physical Review B ◽

10.1103/physrevb.86.115445 ◽

2012 ◽

Vol 86 (11) ◽

Cited By ~ 18

Author(s):

Ryo Nakanishi ◽

Ryo Kitaura ◽

Paola Ayala ◽

Hidetsugu Shiozawa ◽

Kathrin de Blauwe ◽

...

Keyword(s):

Carbon Nanotubes ◽

Electronic Structure ◽

Single Wall Carbon Nanotubes ◽

Single Wall Carbon ◽

Atomic Wires

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