Facile abstraction of hydrogen atoms from graphane, diamond, and amorphous carbon surfaces: A first-principles study

2010 ◽  
Vol 82 (8) ◽  
Author(s):  
Bhavin N. Jariwala ◽  
Cristian V. Ciobanu ◽  
Sumit Agarwal
Keyword(s):  
Amorphous Carbon ◽  
First Principles ◽  
Hydrogen Atoms ◽  
First Principles Study ◽  
Carbon Surfaces

First-principles study of the micro-arrangement of hydrogen atoms and electronic properties of LaNi5Hx (x: 0.5–7)

2008 ◽  
Vol 403 (13-16) ◽  
pp. 2372-2382 ◽  
Author(s):  
Chuanyu Zhang ◽  
Tao Gao ◽  
Xinhua Qi ◽  
Yunguang Zhang ◽  
Lijuan Tang ◽  
...  
Keyword(s):  
Electronic Properties ◽  
First Principles ◽  
Hydrogen Atoms ◽  
First Principles Study

First principles study of the permeability of graphene to hydrogen atoms

2013 ◽  
Vol 15 (38) ◽  
pp. 16132 ◽  
Author(s):  
Meng Miao ◽  
Marco Buongiorno Nardelli ◽  
Qi Wang ◽  
Yingchun Liu
Keyword(s):  
First Principles ◽  
Hydrogen Atoms ◽  
First Principles Study

First principles study of the behavior of hydrogen atoms in a W monovacancy

2015 ◽  
Vol 51 (3) ◽  
pp. 1445-1455 ◽  
Author(s):  
C. Guerrero ◽  
C. González ◽  
R. Iglesias ◽  
J. M. Perlado ◽  
R. González-Arrabal
Keyword(s):  
First Principles ◽  
Hydrogen Atoms ◽  
First Principles Study
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