Density Functional Study of Hydrogen Evolution on Cobalt-Embedded Carbon Nanotubes: Effects of Doping and Surface Curvature

2018 ◽  
Vol 1 (11) ◽  
pp. 6258-6268 ◽  
Author(s):  
Lianming Zhao ◽  
Sheng Guo ◽  
Haijun Liu ◽  
Houyu Zhu ◽  
Saifei Yuan ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Hydrogen Evolution ◽  
Density Functional ◽  
Surface Curvature ◽  
Functional Study ◽  
Density Functional Study

Dynamic core hole screening in small-diameter conducting carbon nanotubes: A cluster density functional study

2013 ◽  
Vol 543 ◽  
pp. 41-47 ◽  
Author(s):  
A. Sindona ◽  
F. Naccarato ◽  
M. Pisarra ◽  
P. Riccardi ◽  
G. Falcone
Keyword(s):  
Carbon Nanotubes ◽  
Density Functional ◽  
Small Diameter ◽  
Functional Study ◽  
Core Hole ◽  
Density Functional Study ◽  
Cluster Density

Interaction between zigzag single-wall carbon nanotubes and polymers: A density-functional study

2005 ◽  
Vol 122 (21) ◽  
pp. 214710 ◽  
Author(s):  
Mirko Simeoni ◽  
Cinzia De Luca ◽  
Silvia Picozzi ◽  
Sandro Santucci ◽  
Bernard Delley
Keyword(s):  
Carbon Nanotubes ◽  
Density Functional ◽  
Functional Study ◽  
Single Wall Carbon Nanotubes ◽  
Density Functional Study ◽  
Single Wall Carbon

Density functional study of the metallization of a linear carbon chain inside single wall carbon nanotubes

Carbon ◽  
2010 ◽  
Vol 48 (14) ◽  
pp. 4057-4062 ◽  
Author(s):  
A. Tapia ◽  
L. Aguilera ◽  
C. Cab ◽  
R.A. Medina-Esquivel ◽  
R. de Coss ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Density Functional ◽  
Carbon Chain ◽  
Functional Study ◽  
Single Wall Carbon Nanotubes ◽  
Density Functional Study ◽  
Single Wall Carbon ◽  
Linear Carbon Chain
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