Silicon Carbide Nanotubes Functionalized by Transition Metal Atoms:  A Density-Functional Study

2008 ◽  
Vol 112 (7) ◽  
pp. 2558-2564 ◽  
Author(s):  
Jing-xiang Zhao ◽  
Yi-hong Ding
Keyword(s):  
Silicon Carbide ◽  
Transition Metal ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Metal Atoms ◽  
Silicon Carbide Nanotubes ◽  
Transition Metal Atoms

Density functional study of mononitrosyls of first-row transition-metal atoms

1997 ◽  
Vol 106 (21) ◽  
pp. 8778-8787 ◽  
Author(s):  
Catherine Blanchet ◽  
Hélio A. Duarte ◽  
Dennis R. Salahub
Keyword(s):  
Transition Metal ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Metal Atoms ◽  
Transition Metal Atoms

Systematic Density Functional Study of the Adsorption of Transition Metal Atoms on the MgO(001) Surface

1997 ◽  
Vol 101 (15) ◽  
pp. 2786-2792 ◽  
Author(s):  
Ilya Yudanov ◽  
Gianfranco Pacchioni ◽  
Konstantin Neyman ◽  
Notker Rösch
Keyword(s):  
Transition Metal ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Metal Atoms ◽  
Transition Metal Atoms
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