The first-principles study on the interaction of Ni with the yttria-stabilized zirconia and the activity of the interface

Dong Shan;  Zhang Yan-Xing;  Zhang Xi-Lin;  Xu Xiao-Pei;  Mao Jian-Jun;  Li Dong-Lin;  Chen Zhi-Ming;  Ma Kuan;  Fan Zheng-Quan;  Wei Dan-Dan;  Yang Zong-Xian

doi:10.7498/aps.65.068201

The first-principles study on the interaction of Ni with the yttria-stabilized zirconia and the activity of the interface

Acta Physica Sinica ◽

10.7498/aps.65.068201 ◽

2016 ◽

Vol 65 (6) ◽

pp. 068201

Author(s):

Dong Shan ◽

Zhang Yan-Xing ◽

Zhang Xi-Lin ◽

Xu Xiao-Pei ◽

Mao Jian-Jun ◽

...

Keyword(s):

First Principles ◽

Yttria Stabilized Zirconia ◽

Stabilized Zirconia ◽

First Principles Study

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First-Principles Study of Substitutional Impurity Segregation in Zirconia, Hafnia, and Yttria-Stabilized-Zirconia Grain Boundaries

2018 Joint Propulsion Conference ◽

10.2514/6.2018-4830 ◽

2018 ◽

Author(s):

Maziar Behtash ◽

Jian Luo ◽

Kesong Yang

Keyword(s):

Grain Boundaries ◽

First Principles ◽

Yttria Stabilized Zirconia ◽

Stabilized Zirconia ◽

Substitutional Impurity ◽

First Principles Study ◽

Impurity Segregation

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First-principles study of hydrogen configurations at the core of a high-angle grain boundary in cubic yttria-stabilized zirconia

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/26/2/025502 ◽

2013 ◽

Vol 26 (2) ◽

pp. 025502 ◽

Cited By ~ 6

Author(s):

A G Marinopoulos

Keyword(s):

Grain Boundary ◽

First Principles ◽

Yttria Stabilized Zirconia ◽

High Angle ◽

Stabilized Zirconia ◽

The Core ◽

First Principles Study

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First-principles study of impurity segregation in zirconia, hafnia, and yttria-stabilized-zirconia grain boundaries

Journal of the European Ceramic Society ◽

10.1016/j.jeurceramsoc.2019.04.039 ◽

2019 ◽

Vol 39 (13) ◽

pp. 3812-3820

Author(s):

Maziar Behtash ◽

Joseph Wong ◽

Sicong Jiang ◽

Jian Luo ◽

Kesong Yang

Keyword(s):

Grain Boundaries ◽

First Principles ◽

Yttria Stabilized Zirconia ◽

Stabilized Zirconia ◽

First Principles Study ◽

Impurity Segregation

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Correction: First-Principles Study of Substitutional Impurity Segregation in Zirconia, Hafnia, and Yttria-Stabilized-Zirconia Grain Boundaries

2018 Joint Propulsion Conference ◽

10.2514/6.2018-4830.c1 ◽

2018 ◽

Author(s):

Maziar Behtash ◽

Jian Luo ◽

Kesong Yang

Keyword(s):

Grain Boundaries ◽

First Principles ◽

Yttria Stabilized Zirconia ◽

Stabilized Zirconia ◽

Substitutional Impurity ◽

First Principles Study ◽

Impurity Segregation

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First-Principles Study of Enhanced Oxygen Incorporation Near the Grain Boundary on Yttria-Stabilized Zirconia

Science of Advanced Materials ◽

10.1166/sam.2016.2628 ◽

2016 ◽

Vol 8 (1) ◽

pp. 196-200 ◽

Cited By ~ 8

Author(s):

Kyeounghak Kim ◽

Wonyoung Lee ◽

Jeong Woo Han

Keyword(s):

Grain Boundary ◽

First Principles ◽

Yttria Stabilized Zirconia ◽

Stabilized Zirconia ◽

First Principles Study ◽

Oxygen Incorporation

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First-Principles Study of Surface Peroxo in Oxygen-Rich Yttria Stabilized Zirconia (110)

ECS Meeting Abstracts ◽

10.1149/ma2015-03/1/218 ◽

2015 ◽

Keyword(s):

First Principles ◽

Yttria Stabilized Zirconia ◽

Stabilized Zirconia ◽

First Principles Study

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First-Principles Study of Surface Peroxo in Oxygen-Rich Yttria Stabilized Zirconia (110)

ECS Transactions ◽

10.1149/06801.3203ecst ◽

2015 ◽

Vol 68 (1) ◽

pp. 3203-3207

Author(s):

S. Takemoto ◽

T. Tada

Keyword(s):

First Principles ◽

Yttria Stabilized Zirconia ◽

Stabilized Zirconia ◽

First Principles Study

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First-Principles Study on the Microstructure of Triple-Phase Boundaries in the Ni/Yttria-Stabilized Zirconia Anode

Acta Physico-Chimica Sinica ◽

10.3866/pku.whxb201404231 ◽

2014 ◽

Vol 30 (6) ◽

pp. 1055-1060

Author(s):

FU Zhao-Ming ◽

◽

WANG Ming-Yang ◽

ZHANG Yan-Xing ◽

ZHANG Na ◽

...

Keyword(s):

First Principles ◽

Yttria Stabilized Zirconia ◽

Stabilized Zirconia ◽

Phase Boundaries ◽

First Principles Study

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First-principles thermodynamic modeling of atomic ordering in yttria-stabilized zirconia

Physical Review B ◽

10.1103/physrevb.82.144117 ◽

2010 ◽

Vol 82 (14) ◽

Cited By ~ 25

Author(s):

P. Dalach ◽

D. E. Ellis ◽

A. van de Walle

Keyword(s):

Thermodynamic Modeling ◽

First Principles ◽

Yttria Stabilized Zirconia ◽

Atomic Ordering ◽

Stabilized Zirconia

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EPRg-tensor of paramagnetic centers in yttria-stabilized zirconia from first-principles calculations

Physical Review B ◽

10.1103/physrevb.73.134112 ◽

2006 ◽

Vol 73 (13) ◽

Cited By ~ 28

Author(s):

F. Pietrucci ◽

M. Bernasconi ◽

C. Di Valentin ◽

F. Mauri ◽

C. J. Pickard

Keyword(s):

First Principles ◽

Yttria Stabilized Zirconia ◽

First Principles Calculations ◽

Paramagnetic Centers ◽

Stabilized Zirconia

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