scholarly journals Formation of Single-Walled Carbon Nanotube via the Interaction of Graphene Nanoribbons:  Ab Initio Density Functional Calculations

Nano Letters ◽  
2007 ◽  
Vol 7 (11) ◽  
pp. 3349-3354 ◽  
Author(s):  
A. J. Du ◽  
Sean C. Smith ◽  
G. Q. Lu
Keyword(s):  
Carbon Nanotube ◽  
Ab Initio ◽  
Density Functional Calculations ◽  
Density Functional ◽  
Graphene Nanoribbons ◽  
Single Walled Carbon Nanotube ◽  
Single Walled Carbon

Hybrid structures of a BN nanoribbon/single-walled carbon nanotube: ab initio study

RSC Advances ◽  
2015 ◽  
Vol 5 (68) ◽  
pp. 55458-55467 ◽  
Author(s):  
Ping Lou
Keyword(s):  
Carbon Nanotube ◽  
Ab Initio ◽  
Density Functional ◽  
Md Simulations ◽  
Hybrid Structures ◽  
Zigzag Edge ◽  
Functional Theory ◽  
Single Walled Carbon Nanotube ◽  
Single Walled Carbon ◽  
Spin Polarized

Hybrid structures of a zigzag edge BN nanoribbon/single-walled carbon nanotube, have been studied via standard spin-polarized density functional theory (DFT) calculations as well as ab initio molecular dynamics (MD) simulations.

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