First-principles study of hydrogen diffusion inα−Al2O3and liquid alumina

A. B. Belonoshko; A. Rosengren; Q. Dong; G. Hultquist; C. Leygraf

doi:10.1103/physrevb.69.024302

First-principles study of hydrogen diffusion inα−Al2O3and liquid alumina

Physical Review B ◽

10.1103/physrevb.69.024302 ◽

2004 ◽

Vol 69 (2) ◽

Cited By ~ 47

Author(s):

A. B. Belonoshko ◽

A. Rosengren ◽

Q. Dong ◽

G. Hultquist ◽

C. Leygraf

Keyword(s):

First Principles ◽

Hydrogen Diffusion ◽

First Principles Study ◽

Liquid Alumina

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Fast hydrogen diffusion along the Σ7 grain boundary of α-Al2O3: A first-principles study

International Journal of Hydrogen Energy ◽

10.1016/j.ijhydene.2016.09.158 ◽

2016 ◽

Vol 41 (47) ◽

pp. 22214-22220 ◽

Cited By ~ 6

Author(s):

Fei Wang ◽

Wensheng Lai ◽

Rusong Li ◽

Bin He ◽

Sufen Li

Keyword(s):

Grain Boundary ◽

First Principles ◽

Hydrogen Diffusion ◽

First Principles Study ◽

Α Al2o3

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First-principles study on hydrogen diffusion mechanism of α-Al2O3/Ti2O3 interface

Fusion Engineering and Design ◽

10.1016/j.fusengdes.2019.04.069 ◽

2019 ◽

Vol 142 ◽

pp. 40-44

Author(s):

N. Wang ◽

F. Sun ◽

Q. Zhou ◽

D.M. Liao ◽

Y.W. Yan

Keyword(s):

First Principles ◽

Hydrogen Diffusion ◽

Diffusion Mechanism ◽

First Principles Study ◽

Α Al2o3

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Fast hydrogen diffusion along Σ13 grain boundary of α-Al2O3 and its suppression by the dopant Cr: A first-principles study

International Journal of Hydrogen Energy ◽

10.1016/j.ijhydene.2017.01.147 ◽

2017 ◽

Vol 42 (15) ◽

pp. 10124-10130 ◽

Cited By ~ 4

Author(s):

Ying Dong ◽

Fei Wang ◽

Wensheng Lai

Keyword(s):

Grain Boundary ◽

First Principles ◽

Hydrogen Diffusion ◽

First Principles Study ◽

Α Al2o3

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Nitrogen diffusion in hafnia and the impact of nitridation on oxygen and hydrogen diffusion: A first-principles study

Journal of Applied Physics ◽

10.1063/1.4906047 ◽

2015 ◽

Vol 117 (3) ◽

pp. 034303 ◽

Cited By ~ 3

Author(s):

Rajesh Sathiyanarayanan ◽

R. K. Pandey ◽

K. V. R. M. Murali

Keyword(s):

First Principles ◽

Hydrogen Diffusion ◽

Nitrogen Diffusion ◽

First Principles Study ◽

The Impact

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First-principles study of hydrogen diffusion in transition metal Rhodium

Journal of Physics Conference Series ◽

10.1088/1742-6596/574/1/012047 ◽

2015 ◽

Vol 574 ◽

pp. 012047 ◽

Cited By ~ 2

Author(s):

Wulijibilige Bao ◽

Xin Cui ◽

Zhi-Ping Wang

Keyword(s):

Transition Metal ◽

First Principles ◽

Hydrogen Diffusion ◽

First Principles Study

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Hydrogen diffusion behavior in N doped ZnO: First-principles study

Journal of Applied Physics ◽

10.1063/1.2939257 ◽

2008 ◽

Vol 103 (11) ◽

pp. 113706 ◽

Cited By ~ 20

Author(s):

J. Hu ◽

H. Y. He ◽

B. C. Pan

Keyword(s):

First Principles ◽

Hydrogen Diffusion ◽

Diffusion Behavior ◽

First Principles Study ◽

Doped Zno

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First Principles Study on Hydrogen Diffusion and Oxidation at the Triple-Phase-Boundary of Ni/H2/ZrO2

ECS Meeting Abstracts ◽

10.1149/ma2008-02/13/1342 ◽

2008 ◽

Keyword(s):

Phase Boundary ◽

First Principles ◽

Hydrogen Diffusion ◽

Triple Phase Boundary ◽

First Principles Study

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First-principles study of hydrogen diffusion mechanism in Cr2O3

Science China Technological Sciences ◽

10.1007/s11431-010-4112-3 ◽

2010 ◽

Vol 54 (1) ◽

pp. 88-94 ◽

Cited By ~ 14

Author(s):

ChangFeng Chen ◽

HaoBo Yu ◽

ShuQi Zheng

Keyword(s):

First Principles ◽

Hydrogen Diffusion ◽

Diffusion Mechanism ◽

First Principles Study

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First-principles study of hydrogen diffusion in alpha Ti

International Journal of Hydrogen Energy ◽

10.1016/j.ijhydene.2009.02.061 ◽

2009 ◽

Vol 34 (9) ◽

pp. 3983-3987 ◽

Cited By ~ 34

Author(s):

X.L. Han ◽

Q. Wang ◽

D.L. Sun ◽

T. Sun ◽

Q. Guo

Keyword(s):

First Principles ◽

Hydrogen Diffusion ◽

First Principles Study

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First-principles study of hydrogen diffusion and self-clustering below tungsten surfaces

Journal of Applied Physics ◽

10.1063/1.5092595 ◽

2019 ◽

Vol 125 (16) ◽

pp. 165105 ◽

Cited By ~ 6

Author(s):

L. Yang ◽

B. D. Wirth

Keyword(s):

First Principles ◽

Hydrogen Diffusion ◽

First Principles Study

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