Carbon Nanotube Superarchitectures: An Ab Initio Study

2011 ◽  
Vol 115 (37) ◽  
pp. 18174-18185 ◽  
Author(s):  
Rulong Zhou ◽  
Rui Liu ◽  
Lei Li ◽  
Xiaojun Wu ◽  
Xiao Cheng Zeng
Keyword(s):  
Carbon Nanotube ◽  
Ab Initio ◽  
Ab Initio Study

scholarly journals Ab initio study of aspirin adsorption on single-walled carbon and carbon nitride nanotubes

2017 ◽  
Vol 19 (11) ◽  
pp. 8076-8081 ◽  
Author(s):  
Yongju Lee ◽  
Dae-Gyeon Kwon ◽  
Gunn Kim ◽  
Young-Kyun Kwon
Keyword(s):  
Density Functional Theory ◽  
Carbon Nanotube ◽  
Acetylsalicylic Acid ◽  
Ab Initio ◽  
Density Functional ◽  
Carbon Nitride ◽  
Adsorption Properties ◽  
Graphitic Carbon Nitride ◽  
Ab Initio Study ◽  
Functional Theory

Using density functional theory, we investigate the adsorption properties of acetylsalicylic acid (aspirin) on the outer surfaces of a (10,0) carbon nanotube (CNT) and a (8,0) triazine-based graphitic carbon nitride nanotube (CNNT).

Ab initio study of Pd-decorated single-walled carbon nanotube with C-vacancy as CO sensor

2013 ◽  
Vol 25 (1) ◽  
pp. 9-19 ◽  
Author(s):  
Mehdi Yoosefian ◽  
Zahra Barzgari ◽  
Javad Yoosefian
Keyword(s):  
Carbon Nanotube ◽  
Ab Initio ◽  
Ab Initio Study ◽  
Single Walled Carbon Nanotube ◽  
Single Walled Carbon ◽  
Co Sensor

scholarly journals Multiple localized states and magnetic orderings in partially open zigzag carbon nanotube superlattices: An ab initio study

2010 ◽  
Vol 133 (8) ◽  
pp. 084702 ◽  
Author(s):  
Bing Huang ◽  
Zuanyi Li ◽  
Young-Woo Son ◽  
Gunn Kim ◽  
Wenhui Duan ◽  
...  
Keyword(s):  
Carbon Nanotube ◽  
Ab Initio ◽  
Localized States ◽  
Ab Initio Study

Ab initio study of hydrogen chemical adsorption on platinum surface/carbon nanotube join system

2008 ◽  
Vol 245 (8) ◽  
pp. 1546-1551 ◽  
Author(s):  
Alexander S. Fedorov ◽  
Pavel B. Sorokin ◽  
Alexander A. Kuzubov
Keyword(s):  
Carbon Nanotube ◽  
Ab Initio ◽  
Chemical Adsorption ◽  
Ab Initio Study ◽  
Platinum Surface ◽  
Surface Carbon

Ab Initio Study of Deformed Carbon Nanotube Sensors for Carbon Monoxide Molecules

Nano Letters ◽  
2004 ◽  
Vol 4 (1) ◽  
pp. 65-67 ◽  
Author(s):  
L. B. da Silva ◽  
S. B. Fagan ◽  
R. Mota
Keyword(s):  
Carbon Monoxide ◽  
Carbon Nanotube ◽  
Ab Initio ◽  
Ab Initio Study

Structural and energetic features of single-walled carbon nanotube junctions: a theoretical ab initio study

2004 ◽  
Vol 303 (3) ◽  
pp. 265-270 ◽  
Author(s):  
Carolina Garau ◽  
Antonio Frontera ◽  
David Quiñonero ◽  
Antoni Costa ◽  
Pablo Ballester ◽  
...  
Keyword(s):  
Carbon Nanotube ◽  
Ab Initio ◽  
Ab Initio Study ◽  
Single Walled Carbon Nanotube ◽  
Single Walled Carbon ◽  
Carbon Nanotube Junctions
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