O vacancy formation in (Pr/Gd)BaCo2O5.5 and the role of antisite defects

2017 ◽  
Vol 19 (18) ◽  
pp. 11455-11459 ◽  
Author(s):  
Salawu Omotayo Akande ◽  
Alexander Chroneos ◽  
Udo Schwingenschlögl
Keyword(s):  
Vacancy Formation ◽  
Double Perovskites ◽  
Antisite Defects ◽  
O Vacancy

The role of antisite defects for the O vacancy formation in the double perovskites (Pr/Gd)BaCo2O5.5 is investigated.

Optical properties of GaSb(001)-c(2 × 6): The role of surface antisite defects

2010 ◽  
Vol 247 (8) ◽  
pp. 1960-1964 ◽  
Author(s):  
Conor Hogan ◽  
Rita Magri ◽  
Rodolfo Del Sole
Keyword(s):  
Optical Properties ◽  
Antisite Defects

The role of π-bonding on the high temperature structure of the double perovskites Ba2CaUO6and BaSrCaUO6

2015 ◽  
Vol 44 (36) ◽  
pp. 16036-16044 ◽  
Author(s):  
Emily Reynolds ◽  
Gordon J. Thorogood ◽  
Maxim Avdeev ◽  
Helen E. A. Brand ◽  
Qinfen Gu ◽  
...  
Keyword(s):  
Phase Transition ◽  
High Temperature ◽  
Neutron Diffraction ◽  
Temperature Structure ◽  
Double Perovskites ◽  
Phase Transition Behavior ◽  
X Ray ◽  
Progressive Loss ◽  
Octahedral Tilting

High temperature synchrotron X-ray and neutron diffraction powder diffraction studies of the uranium perovskites Ba2CaUO6and BaSrCaUO6reveal unusual phase transition behavior associated with the progressive loss of cooperative octahedral tilting.

Preferential location of zirconium dopants in cerium dioxide nanoparticles and the effects of doping on their reducibility: a DFT study

2020 ◽  
Vol 22 (45) ◽  
pp. 26568-26582
Author(s):  
Iskra Z. Koleva ◽  
Hristiyan A. Aleksandrov ◽  
Konstantin M. Neyman ◽  
Georgi N. Vayssilov
Keyword(s):  
Cerium Dioxide ◽  
Dft Study ◽  
Vacancy Formation ◽  
Ceria Nanoparticles ◽  
Zirconium Doping ◽  
Mixed Nanoparticles ◽  
O Vacancy ◽  
Preferential Location

Zirconium doping dramatically facilitates O vacancy formation in ceria nanoparticles not only at the surface but also in four-coordinated inner O positions, which enhances O mobility. In mixed nanoparticles zirconium tends to occupy inner sites.

A role of B-site cation on structural and transport properties of La2BMnO6 (B= Cr, Fe, Co, Ni, Cu, Zn) double perovskites

2020 ◽  
Author(s):  
Javed Ahmad ◽  
Mozammal Iqbal ◽  
Jamshaid Alam Khan ◽  
Syed Hamad Bukhari ◽  
Tufiq Jamil ◽  
...  
Keyword(s):  
Transport Properties ◽  
Double Perovskites

Magnetoelectric and structural properties ofY2CoMnO6: The role of antisite defects

2016 ◽  
Vol 93 (21) ◽  
Author(s):  
J. Blasco ◽  
J. García ◽  
G. Subías ◽  
J. Stankiewicz ◽  
J. A. Rodríguez-Velamazán ◽  
...  
Keyword(s):  
Structural Properties ◽  
Antisite Defects

Cationic ordering and role of A-site ion in manganese-based double perovskites

2008 ◽  
Vol 103 (7) ◽  
pp. 07E315 ◽  
Author(s):  
M. P. Singh ◽  
K. D. Truong ◽  
J. Laverdière ◽  
S. Charpentier ◽  
S. Jandl ◽  
...  
Keyword(s):  
Double Perovskites ◽  
A Site

Anisotropic O vacancy formation and diffusion in LaMnO3

2014 ◽  
Vol 2 (46) ◽  
pp. 19733-19737 ◽  
Author(s):  
Li-Yong Gan ◽  
Salawu Omotayo Akande ◽  
Udo Schwingenschlögl
Keyword(s):  
Vacancy Formation ◽  
O Vacancy ◽  
And Diffusion
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