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

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

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

RSC Advances ◽  
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.

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

Nano Research ◽  
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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