A first-principles study on defect association and oxygen ion migration of Sm3+and Gd3+co-doped ceria

2013 ◽  
Vol 25 (22) ◽  
pp. 225401 ◽  
Author(s):  
Musa Alaydrus ◽  
Mamoru Sakaue ◽  
Susan M Aspera ◽  
Triati D K Wungu ◽  
Tran P T Linh ◽  
...  
Keyword(s):  
First Principles ◽  
Doped Ceria ◽  
Ion Migration ◽  
First Principles Study ◽  
Oxygen Ion ◽  
Oxygen Ion Migration ◽  
Co Doped

Oxygen Ion Migration and Conductivity in LaSrGa3O7 Melilites from First Principles

2020 ◽  
Vol 32 (11) ◽  
pp. 4442-4450 ◽  
Author(s):  
Judith Schuett ◽  
Tim K. Schultze ◽  
Steffen Grieshammer
Keyword(s):  
First Principles ◽  
Ion Migration ◽  
Oxygen Ion ◽  
Oxygen Ion Migration

First-Principles Studies of Oxygen Ion Migration Behavior for Different Valence B-site Ions Doped SrFeO3-δ Ceramic Membrane

2021 ◽  
Author(s):  
Sha Chen ◽  
Hongwei Cheng ◽  
Yanbo Liu ◽  
Xiaolu Xiong ◽  
Qiangchao Sun ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
First Principles ◽  
Density Functional ◽  
Ceramic Membrane ◽  
Density Functional Theory Calculations ◽  
Migration Behavior ◽  
Functional Theory ◽  
Ion Migration ◽  
Oxygen Ion ◽  
Oxygen Ion Migration

Density functional theory calculations were performed to investigate the structural, electronic, and oxygen ion migration properties of B-site ions doped SrFeO3-δ perovskite (B = Al, Zr, Nb, and W) materials,...

First-principles calculation on oxygen ion migration in alkaline-earth doped La2GeO5

2014 ◽  
Vol 26 (25) ◽  
pp. 255503
Author(s):  
Tran Phan Thuy Linh ◽  
Mamoru Sakaue ◽  
Susan Meñez Aspera ◽  
Musa Alaydrus ◽  
Triati Dewi Kencana Wungu ◽  
...  
Keyword(s):  
First Principles ◽  
Alkaline Earth ◽  
First Principles Calculation ◽  
Ion Migration ◽  
Oxygen Ion ◽  
Oxygen Ion Migration

Unveiling the effects of A-site substitutions on the oxygen ion migration in A2−xA′xNiO4+δ by first principles calculations

2018 ◽  
Vol 20 (33) ◽  
pp. 21685-21692 ◽  
Author(s):  
Zhihong Du ◽  
Zijia Zhang ◽  
Anna Niemczyk ◽  
Anna Olszewska ◽  
Ning Chen ◽  
...  
Keyword(s):  
First Principles ◽  
Interstitial Oxygen ◽  
First Principles Calculations ◽  
Migration Energy ◽  
Ion Migration ◽  
Oxygen Ion ◽  
Oxygen Formation ◽  
Oxygen Ion Migration ◽  
And Migration ◽  
A Site

First principles calculations unveil the effects of A-site substitutions on the interstitial oxygen formation and migration energy in A2−xA′xNiO4+δ.

scholarly journals Mechanical properties of M-Zr (M=Cr, Al, Mn) co-doped ceria: A first-principles study

2021 ◽  
Vol 657 (1) ◽  
pp. 012032
Author(s):  
Wei Xiao ◽  
Jingmin Shi ◽  
Lu Sun ◽  
Xue Wang ◽  
Gege Zhou ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
First Principles ◽  
Doped Ceria ◽  
First Principles Study ◽  
Co Doped

scholarly journals Fast oxygen ion migration in Cu–In–oxide bulk and its utilization for effective CO2 conversion at lower temperature

2021 ◽  
Author(s):  
Jun-Ichiro Makiura ◽  
Takuma Higo ◽  
Yutaro Kurosawa ◽  
Kota Murakami ◽  
Shuhei Ogo ◽  
...  
Keyword(s):  
Low Temperature ◽  
Water Gas Shift ◽  
Chemical Looping ◽  
Co2 Conversion ◽  
Ion Migration ◽  
Oxygen Ion ◽  
Reverse Water Gas Shift ◽  
Oxygen Ion Migration ◽  
Lower Temperature ◽  
Water Gas

Efficient activation of CO2 at low temperature was achieved by reverse water–gas shift via chemical looping (RWGS-CL) by virtue of fast oxygen ion migration in a Cu–In structured oxide, even at lower temperatures.

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