scholarly journals Position preference and diffusion path of an oxygen ion in apatite-type lanthanum silicate La9.33Si6O26: a density functional study

2011 ◽  
Vol 21 (9) ◽  
pp. 3234 ◽  
Author(s):  
Ting Liao ◽  
Taizo Sasaki ◽  
Shigeru Suehara ◽  
Ziqi Sun
Keyword(s):  
Density Functional ◽  
Diffusion Path ◽  
Functional Study ◽  
Position Preference ◽  
Density Functional Study ◽  
Oxygen Ion ◽  
And Diffusion ◽  
Lanthanum Silicate ◽  
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scholarly journals Density functional study of gallium clusters on graphene: electronic doping and diffusion

2020 ◽  
Vol 33 (2) ◽  
pp. 025002
Author(s):  
D Nezval ◽  
M Bartošík ◽  
J Mach ◽  
J Piastek ◽  
V Švarc ◽  
...  
Keyword(s):  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Electronic Doping ◽  
And Diffusion

Density functional study of hydrogen adsorption and diffusion on Ni-loaded graphene and graphene oxide

2014 ◽  
Vol 114 (13) ◽  
pp. 879-884 ◽  
Author(s):  
Qingzheng Li ◽  
Houyuan Wang ◽  
Haiping Xia ◽  
Shihao Wei ◽  
Jianhui Yang
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Graphene Oxide ◽  
Density Functional ◽  
Hydrogen Adsorption ◽  
Functional Study ◽  
Density Functional Study ◽  
And Diffusion

A hybrid density functional study of lithium in ZnO: Stability, ionization levels, and diffusion

2009 ◽  
Vol 80 (19) ◽  
Author(s):  
A. Carvalho ◽  
A. Alkauskas ◽  
Alfredo Pasquarello ◽  
A. K. Tagantsev ◽  
N. Setter
Keyword(s):  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Hybrid Density Functional ◽  
And Diffusion
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