Adsorption and Diffusion of Lithium and Sodium on Defective Rhenium Disulfide: A First Principles Study

2018 ◽  
Vol 10 (6) ◽  
pp. 5373-5384 ◽  
Author(s):  
Sankha Mukherjee ◽  
Avinav Banwait ◽  
Sean Grixti ◽  
Nikhil Koratkar ◽  
Chandra Veer Singh
Keyword(s):  
First Principles ◽  
First Principles Study ◽  
And Diffusion

scholarly journals First-principles study of Ni adatom migration on graphene with vacancies

RSC Advances ◽  
2019 ◽  
Vol 9 (33) ◽  
pp. 18823-18834
Author(s):  
E. E. Hernández-Vázquez ◽  
F. Munoz ◽  
S. López-Moreno ◽  
J. L. Morán-López
Keyword(s):  
First Principles ◽  
First Principles Calculations ◽  
P Adsorption ◽  
First Principles Study ◽  
And Diffusion

Adsorption and diffusion of Ni atom over graphene with a vacancy were studied using first-principles calculations.

First-principles study of electronic and diffusion properties of intrinsic defects in 4H-SiC

2020 ◽  
Vol 127 (8) ◽  
pp. 085702 ◽  
Author(s):  
Xiaolan Yan ◽  
Pei Li ◽  
Lei Kang ◽  
Su-Huai Wei ◽  
Bing Huang
Keyword(s):  
First Principles ◽  
Intrinsic Defects ◽  
First Principles Study ◽  
And Diffusion ◽  
Diffusion Properties

scholarly journals Stress effects on stability and diffusion behavior of sulfur impurity in nickel: A first-principles study

2014 ◽  
Vol 90 ◽  
pp. 137-142 ◽  
Author(s):  
Nan Dong ◽  
Caili Zhang ◽  
Hui Liu ◽  
Juan Li ◽  
Xiaolei Wu ◽  
...  
Keyword(s):  
First Principles ◽  
Diffusion Behavior ◽  
Stress Effects ◽  
First Principles Study ◽  
And Diffusion

First-principles study on dissolution and diffusion properties of hydrogen in molybdenum

2010 ◽  
Vol 404 (2) ◽  
pp. 109-115 ◽  
Author(s):  
Chen Duan ◽  
Yue-Lin Liu ◽  
Hong-Bo Zhou ◽  
Ying Zhang ◽  
Shuo Jin ◽  
...  
Keyword(s):  
First Principles ◽  
First Principles Study ◽  
And Diffusion ◽  
Diffusion Properties
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