Effect of vacancy on adsorption/dissociation and diffusion of H2S on Fe(1 0 0) surfaces: A density functional theory study

Applied Surface Science ◽

10.1016/j.apsusc.2018.09.220 ◽

2019 ◽

Vol 465 ◽

pp. 833-845 ◽

Cited By ~ 11

Author(s):

Xiangli Wen ◽

Pengpeng Bai ◽

Zongying Han ◽

Shuqi Zheng ◽

Bingwei Luo ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

And Diffusion

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Adsorption and diffusion of Pb(II) on the kaolinite(001) surface: A density-functional theory study

Applied Clay Science ◽

10.1016/j.clay.2013.08.045 ◽

2013 ◽

Vol 85 ◽

pp. 74-79 ◽

Cited By ~ 11

Author(s):

Man-Chao He ◽

Jian Zhao ◽

Shuang-Xi Wang

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

And Diffusion

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A density functional theory study of hydrogen dissociation and diffusion at the perimeter sites of Au/TiO2

Physical Chemistry Chemical Physics ◽

10.1039/c2cp23755e ◽

2012 ◽

Vol 14 (11) ◽

pp. 3741 ◽

Cited By ~ 42

Author(s):

Bo Yang ◽

Xiao-Ming Cao ◽

Xue-Qing Gong ◽

P. Hu

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Hydrogen Dissociation ◽

And Diffusion

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Adsorption and diffusion of oxygen atom on UN2(100) surface and subsurface: a density functional theory study (DFT and DFT + U)

Journal of Nanostructure in Chemistry ◽

10.1007/s40097-014-0130-1 ◽

2014 ◽

Vol 4 (4) ◽

pp. 143-151 ◽

Cited By ~ 4

Author(s):

T. Zergoug ◽

S. E. H. Abaidia ◽

A. Nedjar ◽

M. Y. Mokeddem

Keyword(s):

Density Functional Theory ◽

Oxygen Atom ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

And Diffusion

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Intercalation processes and diffusion paths of lithium ions in spinel-type structuredLi1+xTi2O4: Density functional theory study

Physical Review B ◽

10.1103/physrevb.77.085112 ◽

2008 ◽

Vol 77 (8) ◽

Cited By ~ 16

Author(s):

M. Anicete-Santos ◽

L. Gracia ◽

A. Beltrán ◽

J. Andrés ◽

J. A. Varela ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Lithium Ions ◽

Spinel Type ◽

Functional Theory ◽

Diffusion Paths ◽

And Diffusion

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Tin-phthalocyanine adsorption and diffusion on Cu and Au (111) surfaces: A density functional theory study

Surface Science ◽

10.1016/j.susc.2018.01.005 ◽

2018 ◽

Vol 671 ◽

pp. 6-10 ◽

Cited By ~ 1

Author(s):

Dan Qin ◽

Xu-Jin Ge ◽

Jing-Tao Lü

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

And Diffusion

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Dissociation and diffusion of hydrogen on defect-free and vacancy defective Mg (0001) surfaces: A density functional theory study

Applied Surface Science ◽

10.1016/j.apsusc.2016.10.101 ◽

2017 ◽

Vol 394 ◽

pp. 371-377 ◽

Cited By ~ 16

Author(s):

Zongying Han ◽

Haipeng Chen ◽

Shixue Zhou

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

And Diffusion ◽

Diffusion Of Hydrogen

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He incorporation and diffusion pathways in pure and defective zircon ZrSiO4: A density functional theory study

Chemical Geology ◽

10.1016/j.chemgeo.2008.10.015 ◽

2009 ◽

Vol 258 (3-4) ◽

pp. 182-196 ◽

Cited By ~ 36

Author(s):

Iman Saadoune ◽

John A. Purton ◽

Nora H. de Leeuw

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

And Diffusion

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Water Diffusion on Pt(111) Terrace, Kink and Steps: Density Functional Theory Study of Water Interaction and Diffusion.

ECS Meeting Abstracts ◽

10.1149/ma2008-02/47/2901 ◽

2008 ◽

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Water Diffusion ◽

Density Functional Theory Study ◽

Functional Theory ◽

Water Interaction ◽

And Diffusion

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Density functional theory study of Li, Na, and Mg intercalation and diffusion in MoS2with controlled interlayer spacing

Materials Research Express ◽

10.1088/2053-1591/3/6/064001 ◽

2016 ◽

Vol 3 (6) ◽

pp. 064001 ◽

Cited By ~ 48

Author(s):

Jing Shuai ◽

Hyun Deog Yoo ◽

Yanliang Liang ◽

Yifei Li ◽

Yan Yao ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Interlayer Spacing ◽

Density Functional Theory Study ◽

Functional Theory ◽

And Diffusion

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Adsorption and diffusion of Au, Pt, and Co adatoms on SrTiO3(001) surfaces: A density functional theory study

Surface Science ◽

10.1016/j.susc.2020.121683 ◽

2020 ◽

Vol 701 ◽

pp. 121683 ◽

Cited By ~ 2

Author(s):

J. Buchwald ◽

M. Hennes

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

And Diffusion

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Effect of vacancy on adsorption/dissociation and diffusion of H2S on Fe(1 0 0) surfaces: A density functional theory study

Adsorption and diffusion of Pb(II) on the kaolinite(001) surface: A density-functional theory study

A density functional theory study of hydrogen dissociation and diffusion at the perimeter sites of Au/TiO2

Adsorption and diffusion of oxygen atom on UN2(100) surface and subsurface: a density functional theory study (DFT and DFT + U)

Intercalation processes and diffusion paths of lithium ions in spinel-type structuredLi1+xTi2O4: Density functional theory study

Tin-phthalocyanine adsorption and diffusion on Cu and Au (111) surfaces: A density functional theory study

Dissociation and diffusion of hydrogen on defect-free and vacancy defective Mg (0001) surfaces: A density functional theory study

He incorporation and diffusion pathways in pure and defective zircon ZrSiO4: A density functional theory study

Water Diffusion on Pt(111) Terrace, Kink and Steps: Density Functional Theory Study of Water Interaction and Diffusion.

Density functional theory study of Li, Na, and Mg intercalation and diffusion in MoS2with controlled interlayer spacing

Adsorption and diffusion of Au, Pt, and Co adatoms on SrTiO3(001) surfaces: A density functional theory study

Effect of vacancy on adsorption/dissociation and diffusion of H2S on Fe(1 0 0) surfaces: A density functional theory study