Carbon atom reactions in the initial stage of CVD graphene growth on copper: A first principles study

2014 ◽  
Vol 53 (5S1) ◽  
pp. 05FD08 ◽  
Author(s):  
Nobuo Tajima ◽  
Tomoaki Kaneko ◽  
Jun Nara ◽  
Takahisa Ohno
Keyword(s):  
Carbon Atom ◽  
First Principles ◽  
Graphene Growth ◽  
Cvd Graphene ◽  
First Principles Study ◽  
Initial Stage

A comparative first-principles study of the adsorption of a carbon atom on copper and nickel surfaces

2010 ◽  
Vol 374 (44) ◽  
pp. 4563-4567 ◽  
Author(s):  
Tu Hu ◽  
Qiming Zhang ◽  
Jack C. Wells ◽  
Xingao Gong ◽  
Zhenyu Zhang
Keyword(s):  
Carbon Atom ◽  
First Principles ◽  
First Principles Study

Stability and Reactivity of [11-20] Step in Initial Stage of Epitaxial Graphene Growth on SiC(0001)

2014 ◽  
Vol 778-780 ◽  
pp. 1150-1153
Author(s):  
Hiroyuki Kageshima ◽  
Hiroki Hibino ◽  
Hiroshi Yamaguchi ◽  
Masao Nagase
Keyword(s):  
Surface Morphology ◽  
First Principles ◽  
Epitaxial Graphene ◽  
First Principles Calculation ◽  
Control Parameters ◽  
Graphene Growth ◽  
Initial Stage ◽  
The Stability

The energetics for the Si desorption and the C adsorption at a [11-20] step on SiC(0001) surface are studied using the first-principles calculation. It is found that the [11-20] step is stable and nonreactive. The stability of the step is thought to govern the surface morphology during the graphene formation. It is shown that the Si pressure and the temperature are the control parameters for the surface morphology and the graphene quality.

First-principles study of the initial stage of aluminum oxidation

2020 ◽  
Vol 744 ◽  
pp. 137237
Author(s):  
Pingping Xu ◽  
Shouye Sun ◽  
Shiyang Sun ◽  
Xin Tan ◽  
Yuan Ren ◽  
...  
Keyword(s):  
First Principles ◽  
Aluminum Oxidation ◽  
First Principles Study ◽  
Initial Stage
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