Dissociative adsorption of water on the Si(001) surface: A first-principles study

Physical Review B ◽

10.1103/physrevb.61.4503 ◽

2000 ◽

Vol 61 (7) ◽

pp. 4503-4506 ◽

Author(s):

Jun-Hyung Cho ◽

Kwang S. Kim ◽

Sung-Hoon Lee ◽

Myung-Ho Kang

Keyword(s):

First Principles ◽

Dissociative Adsorption ◽

First Principles Study ◽

Adsorption Of Water

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Dissociative Adsorption of Water on Ge(100)-(2 × 1): First-Principles Theory

The Journal of Physical Chemistry B ◽

10.1021/jp027739a ◽

2003 ◽

Vol 107 (33) ◽

pp. 8507-8510 ◽

Author(s):

Andrew Föraker ◽

Douglas J. Doren

Keyword(s):

First Principles ◽

Dissociative Adsorption ◽

Adsorption Of Water

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Adsorption of water on TiN (100), (110) and (111) surfaces: A first-principles study

Applied Surface Science ◽

10.1016/j.apsusc.2011.02.042 ◽

2011 ◽

Vol 257 (15) ◽

pp. 6462-6467 ◽

Author(s):

Suchismita Sanyal ◽

Umesh V. Waghmare ◽

James A. Ruud

Keyword(s):

First Principles ◽

First Principles Study ◽

Adsorption Of Water

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Dissociative adsorption of water on Au/MgO/Ag(001) from first principles calculations

Surface Science ◽

10.1016/j.susc.2015.04.013 ◽

2015 ◽

Vol 640 ◽

pp. 10-17 ◽

Author(s):

J. Nevalaita ◽

H. Häkkinen ◽

K. Honkala

Keyword(s):

First Principles ◽

Dissociative Adsorption ◽

First Principles Calculations ◽

Adsorption Of Water

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First-Principles Study of the Adsorption of Water on Tri-s-triazine-based Graphitic Carbon Nitride

Japanese Journal of Applied Physics ◽

10.1143/jjap.49.115703 ◽

2010 ◽

Vol 49 (11) ◽

pp. 115703 ◽

Author(s):

Susan Meñez Aspera ◽

Melanie David ◽

Hideaki Kasai

Keyword(s):

First Principles ◽

Carbon Nitride ◽

Graphitic Carbon ◽

Graphitic Carbon Nitride ◽

First Principles Study ◽

Adsorption Of Water

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First-principles study of the dissociative adsorption ofNH3on the Si(100) surface

Physical Review B ◽

10.1103/physrevb.58.4903 ◽

1998 ◽

Vol 58 (8) ◽

pp. 4903-4908 ◽

Author(s):

Sung-Hoon Lee ◽

Myung-Ho Kang

Keyword(s):

First Principles ◽

Dissociative Adsorption ◽

First Principles Study

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Dissociative Adsorption of Water at (211) Stepped Metallic Surfaces by First-Principles Simulations

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b03226 ◽

2017 ◽

Vol 121 (31) ◽

pp. 16783-16791 ◽

Author(s):

Rengin Peköz ◽

Davide Donadio

Keyword(s):

First Principles ◽

Dissociative Adsorption ◽

Metallic Surfaces ◽

Adsorption Of Water

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Electron Transfer from Hydrogen Molecule to Au(111) During Dissociative Adsorption: A First-Principles Study

Journal of the Physical Society of Japan ◽

10.1143/jpsj.77.054705 ◽

2008 ◽

Vol 77 (5) ◽

pp. 054705 ◽

Author(s):

Shigeyuki Takagi ◽

Jun-ichi Hoshino ◽

Hidekazu Tomono ◽

Kazuo Tsumuraya

Keyword(s):

Electron Transfer ◽

First Principles ◽

Hydrogen Molecule ◽

Dissociative Adsorption ◽

First Principles Study

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Effects of Vacancy-Defected, Dopant and the Adsorption of Water upon Mn2O3 and Mn3O4 (001) Surfaces: A First-Principles Study

Acta Physica Polonica A ◽

10.12693/aphyspola.133.1178 ◽

2018 ◽

Vol 133 (5) ◽

pp. 1178-1185 ◽

Author(s):

M. Mansouri

Keyword(s):

First Principles ◽

First Principles Study ◽

Adsorption Of Water

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Rotation of hydrogen molecules during the dissociative adsorption on the Mg(0001) surface: a first-principles study

Chinese Physics B ◽

10.1088/1674-1056/19/5/058201 ◽

2010 ◽

Vol 19 (5) ◽

pp. 058201 ◽

Author(s):

Li Yan-Fang ◽

Yang Yu ◽

Sun Bo ◽

Song Hong-Zhou ◽

Wei Ying-Hui ◽

...

Keyword(s):

First Principles ◽

Dissociative Adsorption ◽

First Principles Study ◽

Hydrogen Molecules

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Dissociative adsorption of vinyl bromide on Si(001): A first-principles study

Physical Review B ◽

10.1103/physrevb.71.125330 ◽

2005 ◽

Vol 71 (12) ◽

Author(s):

Jun-Hyung Cho ◽

Leonard Kleinman

Keyword(s):

First Principles ◽

Dissociative Adsorption ◽

Vinyl Bromide ◽

First Principles Study

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