Co-Adsorptions of Hydrogen Molecules with Single Wall Silicon Carbide Nanotubes: An Ab Initio Study

2011 ◽  
Vol 8 (9) ◽  
pp. 1798-1810 ◽  
Author(s):  
Souptik Mukherjee ◽  
Asok K. Ray
Keyword(s):  
Silicon Carbide ◽  
Ab Initio ◽  
Hydrogen Molecules ◽  
Silicon Carbide Nanotubes

scholarly journals Ab initio molecular dynamics of hydrogen on tungsten surfaces

2021 ◽  
Author(s):  
Alberto Rodríguez-Fernández ◽  
Laurent Bonnet ◽  
Pascal Larrégaray ◽  
Ricardo Díez Muiño
Keyword(s):  
Molecular Dynamics ◽  
Density Functional Theory ◽  
Ab Initio ◽  
Density Functional ◽  
Ab Initio Molecular Dynamics ◽  
Dissociation Process ◽  
Functional Theory ◽  
Classical Molecular Dynamics ◽  
Hydrogen Molecules

The dissociation process of hydrogen molecules on W(110) was studied using density functional theory and classical molecular dynamics.

Ab initio studies of early stages of nitride growth process on silicon carbide

2014 ◽  
Vol 401 ◽  
pp. 25-29 ◽  
Author(s):  
M. Sznajder ◽  
E. Wachowicz ◽  
J.A. Majewski
Keyword(s):  
Silicon Carbide ◽  
Ab Initio ◽  
Growth Process ◽  
Early Stages

Stone–Wales defects created by low energy recoils in single-walled silicon carbide nanotubes

2009 ◽  
Vol 106 (8) ◽  
pp. 084305 ◽  
Author(s):  
Zhiguo Wang ◽  
Fei Gao ◽  
Jingbo Li ◽  
Xiaotao Zu ◽  
William J. Weber
Keyword(s):  
Silicon Carbide ◽  
Low Energy ◽  
Silicon Carbide Nanotubes
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