Hydrogen fluoride adsorption and reaction on the α-Al2O3(0001) surface: A density functional theory study

2012 ◽  
Vol 136 (11) ◽  
pp. 114701 ◽  
Author(s):  
Jie-Li Quan ◽  
Bo-Tao Teng ◽  
Xiao-Dong Wen ◽  
Yue Zhao ◽  
Rui Liu ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Hydrogen Fluoride ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Fluoride Adsorption ◽  
Α Al2o3

Adsorption of hydrogen fluoride on SiC surfaces: A density functional theory study

2012 ◽  
Vol 12 ◽  
pp. S42-S46 ◽  
Author(s):  
Pho Van Bui ◽  
Kouji Inagaki ◽  
Yasuhisa Sano ◽  
Kazuto Yamauchi ◽  
Yoshitada Morikawa
Keyword(s):  
Density Functional Theory ◽  
Hydrogen Fluoride ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Adsorption Of Hydrogen

Density Functional Theory Study of Co, Rh, and Ir Atoms Deposited on the α-Al2O3(0001) Surface

2004 ◽  
Vol 108 (40) ◽  
pp. 15671-15678 ◽  
Author(s):  
N. Cruz Hernández ◽  
A. Márquez ◽  
J. F. Sanz ◽  
J. R. B. Gomes ◽  
F. Illas
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Α Al2o3

Density Functional Theory Study of Ethanol Decomposition on 3Ni/α-Al2O3(0001) Surface

Langmuir ◽  
2010 ◽  
Vol 26 (20) ◽  
pp. 15845-15851 ◽  
Author(s):  
Hsin-Ni Chiang ◽  
Chia-Ching Wang ◽  
Ya-Chin Cheng ◽  
Jyh-Chiang Jiang ◽  
Horng-Ming Hsieh
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Ethanol Decomposition ◽  
Α Al2o3

scholarly journals Sapphire α−Al2O3 puzzle: Joint μSR and density functional theory study

2021 ◽  
Vol 103 (12) ◽  
Author(s):  
R. C. Vilão ◽  
A. G. Marinopoulos ◽  
H. V. Alberto ◽  
J. M. Gil ◽  
J. S. Lord ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Α Al2o3
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