Oxygen vacancy stabilized zirconia (OVSZ); a joint experimental and theoretical study

2016 ◽  
Vol 124 ◽  
pp. 26-29 ◽  
Author(s):  
Mohsin Raza ◽  
David Cornil ◽  
Jérôme Cornil ◽  
Stéphane Lucas ◽  
Rony Snyders ◽  
...  
Keyword(s):  
Oxygen Vacancy ◽  
Theoretical Study ◽  
Stabilized Zirconia

Structure and Positron Characteristics of Basic Open Volume Defects in Zirconia

2008 ◽  
Vol 607 ◽  
pp. 125-127 ◽  
Author(s):  
Oksana Melikhova ◽  
Jan Kuriplach ◽  
Jakub Čížek ◽  
Ivan Procházka ◽  
Gerhard Brauer
Keyword(s):  
Binding Energy ◽  
Oxygen Vacancy ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Positron Lifetime ◽  
Theoretical Study ◽  
Yttria Stabilized Zirconia ◽  
Pseudopotential Method ◽  
Stabilized Zirconia ◽  
Self Consistent

In this contribution we report on the theoretical study of basic vacancy-like defects in cubic zirconia and yttria stabilized zirconia. In particular, we concentrate on oxygen vacancy, zirconium vacancy and oxygen vacancy – yttrium complex. Relaxed atomic configurations of studied defects are obtained by means of an ab initio pseudopotential method within the supercell approach. Positron characteristics, like positron lifetime and binding energy to defects, are calculated using self-consistent electron densities and potentials taken from ab initio calculations.

Theoretical Study of Oxygen-Vacancy Distribution in In2O3

2021 ◽  
Vol 125 (13) ◽  
pp. 7077-7085
Author(s):  
Lu Liu ◽  
Chang-Chun He ◽  
Jiarui Zeng ◽  
Yin-Hui Peng ◽  
Wan-Yu Chen ◽  
...  
Keyword(s):  
Oxygen Vacancy ◽  
Theoretical Study ◽  
Vacancy Distribution

scholarly journals Oxygen vacancy related distortions in rutileTiO2nanoparticles: A combined experimental and theoretical study

2016 ◽  
Vol 94 (23) ◽  
Author(s):  
G. C. Vásquez ◽  
S. Zh. Karazhanov ◽  
D. Maestre ◽  
A. Cremades ◽  
J. Piqueras ◽  
...  
Keyword(s):  
Oxygen Vacancy ◽  
Theoretical Study

Oxygen vacancy induced photoconductivity enhancement in Bi1-xCaxFeO3-δ nanoparticle ceramics: A combined experimental and theoretical study

2018 ◽  
Vol 124 (19) ◽  
pp. 195108 ◽  
Author(s):  
Subhajit Nandy ◽  
Kulwinder Kaur ◽  
Pavana S. V. Mocherla ◽  
B. R. K. Nanda ◽  
C. Sudakar
Keyword(s):  
Oxygen Vacancy ◽  
Theoretical Study

scholarly journals Determination of oxygen vacancy limit in Mn substituted yttria stabilized zirconia

2018 ◽  
Vol 123 (18) ◽  
pp. 185108 ◽  
Author(s):  
Joanna Stępień ◽  
Marcin Sikora ◽  
Czesław Kapusta ◽  
Daria Pomykalska ◽  
Mirosław M. Bućko
Keyword(s):  
Oxygen Vacancy ◽  
Yttria Stabilized Zirconia ◽  
Stabilized Zirconia
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