Oxygen vacancy formation in CeO2 and Ce1−xZrxO2 solid solutions: electron localization, electrostatic potential and structural relaxation

2012 ◽  
Vol 14 (48) ◽  
pp. 16521 ◽  
Author(s):  
Hai-Feng Wang ◽  
Hui-Ying Li ◽  
Xue-Qing Gong ◽  
Yang-Long Guo ◽  
Guan-Zhong Lu ◽  
...  
Keyword(s):  
Oxygen Vacancy ◽  
Solid Solutions ◽  
Electrostatic Potential ◽  
Structural Relaxation ◽  
Vacancy Formation ◽  
Electron Localization ◽  
Oxygen Vacancy Formation

A Model to Understand the Oxygen Vacancy Formation in Zr-Doped CeO2: Electrostatic Interaction and Structural Relaxation

2009 ◽  
Vol 113 (23) ◽  
pp. 10229-10232 ◽  
Author(s):  
Hai-Feng Wang ◽  
Xue-Qing Gong ◽  
Yang-Long Guo ◽  
Yun Guo ◽  
Guan Zhong Lu ◽  
...  
Keyword(s):  
Oxygen Vacancy ◽  
Electrostatic Interaction ◽  
Structural Relaxation ◽  
Vacancy Formation ◽  
Oxygen Vacancy Formation ◽  
Doped Ceo2

scholarly journals Oxygen vacancy formation energies in PbTiO3/SrTiO3 superlattice

2018 ◽  
Vol 2 (6) ◽  
Author(s):  
Lipeng Zhang ◽  
Isaac Bredeson ◽  
Axiel Y. Birenbaum ◽  
P. R. C. Kent ◽  
Valentino R. Cooper ◽  
...  
Keyword(s):  
Oxygen Vacancy ◽  
Vacancy Formation ◽  
Oxygen Vacancy Formation ◽  
Formation Energies

Correlation between crystallinity and oxygen vacancy formation in In–Ga–Zn oxide

2016 ◽  
Vol 55 (2) ◽  
pp. 021203 ◽  
Author(s):  
Tomoki Hiramatsu ◽  
Motoki Nakashima ◽  
Erumu Kikuchi ◽  
Noritaka Ishihara ◽  
Masashi Tsubuku ◽  
...  
Keyword(s):  
Oxygen Vacancy ◽  
Vacancy Formation ◽  
Oxygen Vacancy Formation

Factors Governing Oxygen Vacancy Formation in Oxide Perovskites

2021 ◽  
Author(s):  
Robert B. Wexler ◽  
Gopalakrishnan Sai Gautam ◽  
Ellen B. Stechel ◽  
Emily A. Carter
Keyword(s):  
Oxygen Vacancy ◽  
Vacancy Formation ◽  
Oxygen Vacancy Formation

Suppression of Metal-Insulator Transition in VO2 by Electric Field-Induced Oxygen Vacancy Formation

Science ◽  
2013 ◽  
Vol 339 (6126) ◽  
pp. 1402-1405 ◽  
Author(s):  
J. Jeong ◽  
N. Aetukuri ◽  
T. Graf ◽  
T. D. Schladt ◽  
M. G. Samant ◽  
...  
Keyword(s):  
Oxygen Vacancy ◽  
Electric Field ◽  
Insulator Transition ◽  
Vacancy Formation ◽  
Metal Insulator Transition ◽  
Metal Insulator ◽  
Oxygen Vacancy Formation

scholarly journals Oxygen vacancy formation in the SrTiO3 Σ5 [001] twist grain boundary from first-principles

2018 ◽  
Vol 101 (7) ◽  
pp. 3118-3129 ◽  
Author(s):  
Maziar Behtash ◽  
Yaqin Wang ◽  
Jian Luo ◽  
Kesong Yang
Keyword(s):  
Oxygen Vacancy ◽  
Grain Boundary ◽  
First Principles ◽  
Vacancy Formation ◽  
Oxygen Vacancy Formation

scholarly journals Surface Oxygen Vacancy Formation Energy Calculations in 34 Orientations of β-Ga2O3 and θ-Al2O3

2020 ◽  
Vol 124 (19) ◽  
pp. 10509-10522 ◽  
Author(s):  
Yoyo Hinuma ◽  
Takashi Kamachi ◽  
Nobutsugu Hamamoto ◽  
Motoshi Takao ◽  
Takashi Toyao ◽  
...  
Keyword(s):  
Oxygen Vacancy ◽  
Formation Energy ◽  
Vacancy Formation Energy ◽  
Vacancy Formation ◽  
Surface Oxygen ◽  
Energy Calculations ◽  
Surface Oxygen Vacancy ◽  
Oxygen Vacancy Formation
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