First-principles study of contact between Ti surface and semiconducting carbon nanotube

2007 ◽  
Vol 102 (1) ◽  
pp. 013709 ◽  
Author(s):  
Tiezhu Meng ◽  
Chong-Yu Wang ◽  
Shan-Ying Wang
Keyword(s):  
Carbon Nanotube ◽  
First Principles ◽  
First Principles Study

scholarly journals First-Principles Study of Li-Intercalated Carbon Nanotube Ropes

2000 ◽  
Vol 85 (8) ◽  
pp. 1706-1709 ◽  
Author(s):  
Jijun Zhao ◽  
Alper Buldum ◽  
Jie Han ◽  
Jian Ping Lu
Keyword(s):  
Carbon Nanotube ◽  
First Principles ◽  
First Principles Study

First principles study of a heavily nitrogen-doped (10,0) carbon nanotube

2018 ◽  
Vol 103 ◽  
pp. 201-207 ◽  
Author(s):  
Mohsen Jamshidi ◽  
Mostafa Razmara ◽  
Banafsheh Nikfar ◽  
Masoud Amiri
Keyword(s):  
Carbon Nanotube ◽  
First Principles ◽  
Nitrogen Doped ◽  
First Principles Study

First-Principles Study of Carbon Nanotube Solid-State Packings

1995 ◽  
Vol 29 (1) ◽  
pp. 43-48 ◽  
Author(s):  
J.-C Charlier ◽  
X Gonze ◽  
J.-P Michenaud
Keyword(s):  
Carbon Nanotube ◽  
Solid State ◽  
First Principles ◽  
First Principles Study

scholarly journals Carbon nanobuds based on carbon nanotube caps: a first-principles study

Nanoscale ◽  
2016 ◽  
Vol 8 (4) ◽  
pp. 2343-2349 ◽  
Author(s):  
Ji Il Choi ◽  
Hyo Seok Kim ◽  
Han Seul Kim ◽  
Ga In Lee ◽  
Jeung Ku Kang ◽  
...  
Keyword(s):  
Carbon Nanotube ◽  
Fermi Level ◽  
First Principles ◽  
First Principles Study

The formation of fullerene carbon nanobuds (CNBs) on carbon nanotube (CNT) caps is energetically more favorable than that on CNT sidewalls. Generally, CNBs based on CNT ends can induce resonant transmissions near the Fermi level.

POLARIZABILITY AND SHIELDING OF COAXIAL HYBRID DOUBLE-WALLED NANOTUBES: A FIRST-PRINCIPLES STUDY

2008 ◽  
Vol 07 (04) ◽  
pp. 793-803
Author(s):  
NUANXIANG LI ◽  
QUNXIANG LI ◽  
HAIBIN SU ◽  
Q. W. SHI ◽  
JINLONG YANG
Keyword(s):  
Carbon Nanotube ◽  
Boron Nitride ◽  
Electric Field ◽  
Electronic Properties ◽  
External Electric Field ◽  
First Principles ◽  
Electronic Structures ◽  
Outer Tube ◽  
Boron Nitride Nanotube ◽  
First Principles Study

First-principles studies on electronic structures, transverse polarizability, and shielding of two coaxial hybrid double-walled nanotubes consisting of carbon nanotube (CNT) and boron nitride nanotube (BNNT), namely CNT@BNNT and BNNT@CNT, are conducted. The interaction between inner and outer tubes is considerably weak. The polarizability of single-walled CNT is larger than that of single-walled BNNT due to the different electronic properties. In BNNT@CNT, the outer CNT with delocalized π-electrons character demonstrates a nearly complete shielding with the order of 90% of the inner BNNT from the transverse external electric field, while the outer BNNT has a relative small shielding of about 40% for the inner CNT in CNT@BNNT system. Moreover, the shielding of the outer tube can be appreciably enhanced by increasing the intertube separation.

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