Influence of irradiation-induced point defects on the dissolution and diffusion properties of hydrogen in α-Al2O3: a first-principles study

Nuclear Fusion ◽

10.1088/1741-4326/abcf8c ◽

2020 ◽

Author(s):

Xin-Dong Pan ◽

Yu-Ping Xu ◽

Tao Lu ◽

Hai-Shan Zhou ◽

Xiaochun Li ◽

...

Keyword(s):

Point Defects ◽

First Principles ◽

First Principles Study ◽

Α Al2o3 ◽

And Diffusion ◽

Diffusion Properties

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First-principles study on the dissolution and diffusion properties of hydrogen in α-Al2O3

Ceramics International ◽

10.1016/j.ceramint.2020.10.156 ◽

2020 ◽

Author(s):

Xin-Dong Pan ◽

Yu-Ping Xu ◽

Tao Lu ◽

Yi-Ming Lyu ◽

Hai-Shan Zhou ◽

...

Keyword(s):

First Principles ◽

First Principles Study ◽

Α Al2o3 ◽

And Diffusion ◽

Diffusion Properties

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Formation and diffusion of intrinsic point defects in bulk and monolayer MoS 2 : first principles study

physica status solidi (b) ◽

10.1002/pssb.202100479 ◽

2021 ◽

Author(s):

Vasilii Gusakov ◽

Julia Gusakova ◽

Beng Kang Tay

Keyword(s):

Point Defects ◽

First Principles ◽

Intrinsic Point Defects ◽

First Principles Study ◽

And Diffusion

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First-principles study of electronic and diffusion properties of intrinsic defects in 4H-SiC

Journal of Applied Physics ◽

10.1063/1.5140692 ◽

2020 ◽

Vol 127 (8) ◽

pp. 085702 ◽

Cited By ~ 4

Author(s):

Xiaolan Yan ◽

Pei Li ◽

Lei Kang ◽

Su-Huai Wei ◽

Bing Huang

Keyword(s):

First Principles ◽

Intrinsic Defects ◽

First Principles Study ◽

And Diffusion ◽

Diffusion Properties

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First-principles study on dissolution and diffusion properties of hydrogen in molybdenum

Journal of Nuclear Materials ◽

10.1016/j.jnucmat.2010.06.029 ◽

2010 ◽

Vol 404 (2) ◽

pp. 109-115 ◽

Cited By ~ 31

Author(s):

Chen Duan ◽

Yue-Lin Liu ◽

Hong-Bo Zhou ◽

Ying Zhang ◽

Shuo Jin ◽

...

Keyword(s):

First Principles ◽

First Principles Study ◽

And Diffusion ◽

Diffusion Properties

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First-principles study of the stability and diffusion properties of hydrogen in zirconium carbide

Journal of Nuclear Materials ◽

10.1016/j.jnucmat.2016.07.008 ◽

2016 ◽

Vol 479 ◽

pp. 130-136 ◽

Cited By ~ 7

Author(s):

Xiao-Yong Yang ◽

Yong Lu ◽

Ping Zhang

Keyword(s):

First Principles ◽

Zirconium Carbide ◽

First Principles Study ◽

The Stability ◽

And Diffusion ◽

Diffusion Properties

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First-principles study on the adsorption and diffusion properties of non-noble (Fe, Co, Ni and Cu) and noble (Ru, Rh, Pt and Pd) metal single atom on graphyne

Chemical Physics ◽

10.1016/j.chemphys.2020.110783 ◽

2020 ◽

Vol 536 ◽

pp. 110783

Author(s):

Hui Shi ◽

Ming Xia ◽

Litao Jia ◽

Bo Hou ◽

Qiang Wang ◽

...

Keyword(s):

First Principles ◽

Single Atom ◽

First Principles Study ◽

And Diffusion ◽

Diffusion Properties

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The stability and diffusion properties of foreign impurity atoms on the surface and in the bulk of vanadium: A first-principles study

Computational Materials Science ◽

10.1016/j.commatsci.2013.08.011 ◽

2014 ◽

Vol 81 ◽

pp. 191-198 ◽

Cited By ~ 15

Author(s):

Ling Gong ◽

Qiulei Su ◽

Huiqiu Deng ◽

Shifang Xiao ◽

Wangyu Hu

Keyword(s):

First Principles ◽

Impurity Atoms ◽

First Principles Study ◽

The Stability ◽

And Diffusion ◽

Diffusion Properties

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First-Principles Study of Lithium Adsorption and Diffusion on Graphene with Point Defects

The Journal of Physical Chemistry C ◽

10.1021/jp304861d ◽

2012 ◽

Vol 116 (41) ◽

pp. 21780-21787 ◽

Cited By ~ 180

Author(s):

Liu-Jiang Zhou ◽

Z. F. Hou ◽

Li-Ming Wu

Keyword(s):

Point Defects ◽

First Principles ◽

First Principles Study ◽

And Diffusion

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First-principles study of native point defects and diffusion behaviors of helium in zirconium carbide

Journal of Nuclear Materials ◽

10.1016/j.jnucmat.2015.06.008 ◽

2015 ◽

Vol 465 ◽

pp. 161-166 ◽

Cited By ~ 13

Author(s):

Xiaoyong Yang ◽

Yong Lu ◽

Ping Zhang

Keyword(s):

Point Defects ◽

First Principles ◽

Zirconium Carbide ◽

Native Point Defects ◽

First Principles Study ◽

And Diffusion ◽

Diffusion Behaviors

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A first-principles study of sodium adsorption and diffusion on phosphorene

Physical Chemistry Chemical Physics ◽

10.1039/c5cp02419f ◽

2015 ◽

Vol 17 (25) ◽

pp. 16398-16404 ◽

Cited By ~ 53

Author(s):

Xiao Liu ◽

Yanwei Wen ◽

Zhengzheng Chen ◽

Bin Shan ◽

Rong Chen

Keyword(s):

First Principles ◽

Sodium Ion ◽

Sodium Ion Battery ◽

First Principles Study ◽

And Diffusion ◽

Battery Anode ◽

Diffusion Properties

The structural, electronic, electrochemical as well as the diffusion properties of Na doped phosphorene have been investigated, which indicates that the phosphorene could be a promising sodium-ion battery anode based on a first-principles study.

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