First-principles study of hydrogen configurations at the core of a high-angle grain boundary in cubic yttria-stabilized zirconia

2013 ◽  
Vol 26 (2) ◽  
pp. 025502 ◽  
Author(s):  
A G Marinopoulos
Keyword(s):  
Grain Boundary ◽  
First Principles ◽  
Yttria Stabilized Zirconia ◽  
High Angle ◽  
Stabilized Zirconia ◽  
The Core ◽  
First Principles Study

scholarly journals First-Principles Study on the Microstructure of Triple-Phase Boundaries in the Ni/Yttria-Stabilized Zirconia Anode

2014 ◽  
Vol 30 (6) ◽  
pp. 1055-1060
Author(s):  
FU Zhao-Ming ◽  
◽  
WANG Ming-Yang ◽  
ZHANG Yan-Xing ◽  
ZHANG Na ◽  
...  
Keyword(s):  
First Principles ◽  
Yttria Stabilized Zirconia ◽  
Stabilized Zirconia ◽  
Phase Boundaries ◽  
First Principles Study

scholarly journals The first-principles study on the interaction of Ni with the yttria-stabilized zirconia and the activity of the interface

2016 ◽  
Vol 65 (6) ◽  
pp. 068201
Author(s):  
Dong Shan ◽  
Zhang Yan-Xing ◽  
Zhang Xi-Lin ◽  
Xu Xiao-Pei ◽  
Mao Jian-Jun ◽  
...  
Keyword(s):  
First Principles ◽  
Yttria Stabilized Zirconia ◽  
Stabilized Zirconia ◽  
First Principles Study

Fast hydrogen diffusion along the Σ7 grain boundary of α-Al2O3: A first-principles study

2016 ◽  
Vol 41 (47) ◽  
pp. 22214-22220 ◽  
Author(s):  
Fei Wang ◽  
Wensheng Lai ◽  
Rusong Li ◽  
Bin He ◽  
Sufen Li
Keyword(s):  
Grain Boundary ◽  
First Principles ◽  
Hydrogen Diffusion ◽  
First Principles Study ◽  
Α Al2o3
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