Theoretical Studies on the Stability and Reactivity of the Metal-Doped CeO2(100) Surface: Toward H2 Dissociation and Oxygen Vacancy Formation

Langmuir ◽  
2020 ◽  
Vol 36 (21) ◽  
pp. 5891-5901
Author(s):  
Wei Zhang ◽  
Min Pu ◽  
Ming Lei
Keyword(s):  
Oxygen Vacancy ◽  
Vacancy Formation ◽  
Theoretical Studies ◽  
Oxygen Vacancy Formation ◽  
Doped Ceo2 ◽  
The Stability ◽  
Metal Doped

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 A DFT+U study on the contribution of 4f electrons to oxygen vacancy formation and migration in Ln-doped CeO2

2016 ◽  
Vol 18 (18) ◽  
pp. 12938-12946 ◽  
Author(s):  
M. Alaydrus ◽  
M. Sakaue ◽  
H. Kasai
Keyword(s):  
Oxygen Vacancy ◽  
Vacancy Formation ◽  
Oxygen Vacancy Formation ◽  
Doped Ceo2 ◽  
And Migration ◽  
Covalent Interactions

The variable occupancy of empty 4f orbitals is important typically for early Ln elements to produce the covalent interactions that essentially affect the formation and migration of oxygen vacancy.

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
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