Theoretical investigation on carbon nucleation on nickel carbides at initial stages of single-walled carbon nanotube formation

Zhimin Yang; Qiang Wang; Xiaoye Shan; Shuo-Wang Yang; Hongjun Zhu

doi:10.1039/c4cp02837f

Theoretical investigation on carbon nucleation on nickel carbides at initial stages of single-walled carbon nanotube formation

Physical Chemistry Chemical Physics ◽

10.1039/c4cp02837f ◽

2014 ◽

Vol 16 (36) ◽

pp. 19654-19660 ◽

Cited By ~ 2

Author(s):

Zhimin Yang ◽

Qiang Wang ◽

Xiaoye Shan ◽

Shuo-Wang Yang ◽

Hongjun Zhu

Keyword(s):

Carbon Nanotube ◽

Theoretical Investigation ◽

First Principles ◽

Metal Carbide ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon ◽

First Principles Study ◽

Initial Stage

A first-principles study shows that metal carbide clusters do exist during the initial stage of single-walled carbon nanotube nucleation.

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Application of single-walled carbon nanotube body to unique emitter: a first-principles study

Chemical Physics Letters ◽

10.1016/s0009-2614(01)01324-0 ◽

2001 ◽

Vol 350 (5-6) ◽

pp. 386-392 ◽

Cited By ~ 11

Author(s):

Gang Zhou ◽

Yoshiyuki Kawazoe

Keyword(s):

Carbon Nanotube ◽

First Principles ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon ◽

First Principles Study

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Hydrogen storage in TiO2 functionalized (10, 10) single walled carbon nanotube (SWCNT) – First principles study

International Journal of Hydrogen Energy ◽

10.1016/j.ijhydene.2014.01.048 ◽

2014 ◽

Vol 39 (10) ◽

pp. 4973-4980 ◽

Cited By ~ 20

Author(s):

R. Lavanya ◽

V.J. Surya ◽

I. Lakshmi ◽

K. Iyakutti ◽

V. Vasu ◽

...

Keyword(s):

Carbon Nanotube ◽

Hydrogen Storage ◽

First Principles ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon ◽

First Principles Study

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The tunable effect of nitrogen and boron dopants on a single walled carbon nanotube support on the catalytic properties of a single gold atom catalyst: a first principles study of CO oxidation

Journal of Materials Chemistry A ◽

10.1039/c7ta03551a ◽

2017 ◽

Vol 5 (32) ◽

pp. 16653-16662 ◽

Cited By ~ 22

Author(s):

Sajjad Ali ◽

Tianfu Liu ◽

Zan Lian ◽

Bo Li ◽

Dang Sheng Su

Keyword(s):

Carbon Nanotube ◽

Co Oxidation ◽

First Principles ◽

Catalytic Properties ◽

Gold Atom ◽

Catalytic Performance ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon ◽

First Principles Study ◽

Practical Strategy

Doping of supports is a practical strategy to tune the catalytic performance of a single Au atom in CO oxidation.

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First-Principles Study on Hydrogen Storage in Single Walled Carbon Nanotube Functionalized with Ammonia

Journal of Computational and Theoretical Nanoscience ◽

10.1166/jctn.2010.1393 ◽

2010 ◽

Vol 7 (3) ◽

pp. 552-557 ◽

Cited By ~ 11

Author(s):

V. J. Surya ◽

K. Iyakutti ◽

M. Rajarajeswari ◽

Y. Kawazoe

Keyword(s):

Carbon Nanotube ◽

Hydrogen Storage ◽

First Principles ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon ◽

First Principles Study

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[1+1] and [2+1] Additions on a (5,5) Single-Walled Carbon Nanotube with V1~V4 Vacancies Based on Defect Curvature: A First Principles Study

Acta Chimica Sinica ◽

10.6023/a16110645 ◽

2017 ◽

Vol 75 (3) ◽

pp. 284 ◽

Cited By ~ 1

Author(s):

Lei Li ◽

Guixiao Jia ◽

Xiaoxia Wang ◽

Tongwei Wu ◽

Xiwen Song ◽

...

Keyword(s):

Carbon Nanotube ◽

First Principles ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon ◽

First Principles Study

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Electronic properties and gas adsorption behaviour of pristine, silicon-, and boron-doped (8, 0) single-walled carbon nanotube: A first principles study

Journal of Molecular Graphics and Modelling ◽

10.1016/j.jmgm.2017.05.003 ◽

2017 ◽

Vol 75 ◽

pp. 85-93 ◽

Cited By ~ 19

Author(s):

Mohd Asyadi Azam ◽

Farizul Muiz Alias ◽

Liew Weng Tack ◽

Raja Noor Amalina Raja Seman ◽

Mohamad Fariz Mohamad Taib

Keyword(s):

Carbon Nanotube ◽

Electronic Properties ◽

First Principles ◽

Gas Adsorption ◽

Adsorption Behaviour ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon ◽

First Principles Study ◽

Boron Doped

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First-Principles Study of Water Chains Encapsulated in Single-Walled Carbon Nanotube

The Journal of Physical Chemistry C ◽

10.1021/jp808873r ◽

2009 ◽

Vol 113 (14) ◽

pp. 5368-5375 ◽

Cited By ~ 36

Author(s):

Lu Wang ◽

Jijun Zhao ◽

Fengyu Li ◽

Haiping Fang ◽

Jian Ping Lu

Keyword(s):

Carbon Nanotube ◽

First Principles ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon ◽

First Principles Study

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First-principles study of quantum tunneling from nanostructures: Current in a single-walled carbon nanotube electron source

Physical Review B ◽

10.1103/physrevb.80.115422 ◽

2009 ◽

Vol 80 (11) ◽

Cited By ~ 16

Author(s):

Parham Yaghoobi ◽

Konrad Walus ◽

Alireza Nojeh

Keyword(s):

Carbon Nanotube ◽

First Principles ◽

Quantum Tunneling ◽

Electron Source ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon ◽

First Principles Study

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(10, 10) Single walled carbon nanotube consisted of chemisorbed oxygen atoms as a promising supercapacitor electrode material: A first principles study

Chemical Physics Letters ◽

10.1016/j.cplett.2016.10.018 ◽

2016 ◽

Vol 664 ◽

pp. 96-100 ◽

Cited By ~ 2

Author(s):

Ehsan Targholi ◽

Masoumeh Molaei ◽

S. Morteza Mousavi-Khoshdel

Keyword(s):

Carbon Nanotube ◽

Electrode Material ◽

First Principles ◽

Supercapacitor Electrode ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon ◽

First Principles Study ◽

Chemisorbed Oxygen ◽

Oxygen Atoms

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First Principles Study on Electronic and Optical Properties of Single Walled Carbon Nanotube for Photonics Application

IOP Conference Series Materials Science and Engineering ◽

10.1088/1757-899x/1051/1/012089 ◽

2021 ◽

Vol 1051 (1) ◽

pp. 012089

Author(s):

S N M Halim ◽

M F M Taib ◽

F Ahmad

Keyword(s):

Optical Properties ◽

Carbon Nanotube ◽

First Principles ◽

Single Walled Carbon Nanotube ◽

Electronic And Optical Properties ◽

Single Walled Carbon ◽

First Principles Study

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