How does an amalgamated Ni cathode affect carbon nanotube growth? A density functional theory study

RSC Advances ◽

10.1039/c6ra03460h ◽

2016 ◽

Vol 6 (32) ◽

pp. 27191-27196 ◽

Author(s):

Gangotri Dey ◽

Jiawen Ren ◽

Tarek El-Ghazawi ◽

Stuart Licht

Keyword(s):

Density Functional Theory ◽

Carbon Nanotube ◽

Density Functional ◽

Dft Study ◽

Density Functional Theory Study ◽

Functional Theory ◽

Carbon Nanotube Growth ◽

Nanotube Growth

This is a Density Functional Theory (DFT) study on the influence of an alloying mixture of Ni–Zn catalysts on carbon nanotube, CNT, growth.

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Towards Multiscale Simulations of Carbon Nanotube Growth Process: A Density Functional Theory Study of Transition Metal Hydrides

Lecture Notes in Computer Science - Computational Science – ICCS 2009 ◽

10.1007/978-3-642-01970-8_76 ◽

2009 ◽

pp. 765-774

Author(s):

Satyender Goel ◽

Artëm E. Masunov

Keyword(s):

Density Functional Theory ◽

Carbon Nanotube ◽

Density Functional ◽

Growth Process ◽

Metal Hydrides ◽

Density Functional Theory Study ◽

Functional Theory ◽

Transition Metal Hydrides ◽

Carbon Nanotube Growth ◽

Nanotube Growth

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Density functional theory and tight binding-based dynamical studies of carbon metal systems of relevance to carbon nanotube growth

Nano Research ◽

10.1007/s12274-009-9064-1 ◽

2009 ◽

Vol 2 (10) ◽

pp. 774-782 ◽

Author(s):

Kim Bolton ◽

Anders Börjesson ◽

Wuming Zhu ◽

Hakim Amara ◽

Christophe Bichara

Keyword(s):

Density Functional Theory ◽

Carbon Nanotube ◽

Density Functional ◽

Tight Binding ◽

Functional Theory ◽

Carbon Nanotube Growth ◽

Nanotube Growth

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Nitrotyrosine adsorption on carbon nanotube: a density functional theory study

Indian Journal of Physics ◽

10.1007/s12648-013-0438-6 ◽

2014 ◽

Vol 88 (5) ◽

pp. 483-487 ◽

Author(s):

R. Majidi ◽

A. R. Karami

Keyword(s):

Density Functional Theory ◽

Carbon Nanotube ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Predicting whether aromatic molecules would prefer to enter a carbon nanotube: A density functional theory study

Journal of Computational Chemistry ◽

10.1002/jcc.26173 ◽

2020 ◽

Vol 41 (13) ◽

pp. 1261-1270

Author(s):

Dae‐Hwan Ahn ◽

Chiyoung Park ◽

Jong‐Won Song

Keyword(s):

Density Functional Theory ◽

Carbon Nanotube ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Aromatic Molecules

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A dispersion‐corrected density functional theory study of the noncovalent interactions between nucleobases and carbon nanotube models containing stone–wales defects

Journal of Computational Chemistry ◽

10.1002/jcc.26127 ◽

2019 ◽

Vol 41 (8) ◽

pp. 780-789

Author(s):

Flavio F. Contreras‐Torres ◽

Elena V. Basiuk ◽

Vladimir A. Basiuk

Keyword(s):

Density Functional Theory ◽

Carbon Nanotube ◽

Density Functional ◽

Noncovalent Interactions ◽

Density Functional Theory Study ◽

Functional Theory

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Interaction Between Alanine and Single-Walled Carbon Nanotube: A Density Functional Theory Study

10.1063/1.3605850 ◽

2011 ◽

Author(s):

M. Rajarajeswari ◽

K. Iyakutti ◽

Y. Kawazoe ◽

Alka B. Garg ◽

R. Mittal ◽

...

Keyword(s):

Density Functional Theory ◽

Carbon Nanotube ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon

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Density functional theory study of atomic oxygen, O2 and O3 adsorptions on the H-capped (5,0) single-walled carbon nanotube

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2009.02.022 ◽

2009 ◽

Vol 41 (8) ◽

pp. 1373-1378 ◽

Author(s):

Rabee Khorrampour ◽

Mehdi D. Esrafili ◽

Nasser L. Hadipour

Keyword(s):

Density Functional Theory ◽

Carbon Nanotube ◽

Density Functional ◽

Atomic Oxygen ◽

Density Functional Theory Study ◽

Functional Theory ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon

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Density functional theory study of the substituent effect on the structure, conformation and vibrational spectra in halosubstituted anilines

RSC Advances ◽

10.1039/c6ra11908e ◽

2016 ◽

Vol 6 (72) ◽

pp. 67794-67804 ◽

Author(s):

Kabiru Haruna ◽

Asem A. Alenaizan ◽

Abdulaziz A. Al-Saadi

Keyword(s):

Density Functional Theory ◽

Vibrational Spectra ◽

Substituent Effect ◽

Density Functional ◽

Spectroscopic Properties ◽

Dft Study ◽

Density Functional Theory Study ◽

Functional Theory ◽

A comparative density functional theory (DFT) study exploring the structural and spectroscopic properties of the complete set of halosubstituted anilines with the halogens being F, Cl and Br was carried out.

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A comprehensive density functional theory study on molecular structures of (5, 5) carbon nanotube doped with B, N, Al, Si, P, Co, and Ni

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2017.05.016 ◽

2017 ◽

Vol 1114 ◽

pp. 55-64 ◽

Author(s):

Fahimeh Shojaie

Keyword(s):

Density Functional Theory ◽

Carbon Nanotube ◽

Density Functional ◽

Molecular Structures ◽

Density Functional Theory Study ◽

Functional Theory

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Interactions of noxious molecules on a single gold atom decorated an ultra-small carbon nanotube: a density functional theory study

Sensors and Actuators A Physical ◽

10.1016/j.sna.2021.113024 ◽

2021 ◽

pp. 113024

Author(s):

Riri Jonuarti ◽

Suprijadi

Keyword(s):

Density Functional Theory ◽

Carbon Nanotube ◽

Density Functional ◽

Gold Atom ◽

Density Functional Theory Study ◽

Functional Theory

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