Hydrogen adsorption on polar ZnO(0001)-Zn: Extending equilibrium surface phase diagrams to kinetically stabilized structures

2010 ◽  
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Author(s):  
Markus Valtiner ◽  
Mira Todorova ◽  
Jörg Neugebauer
Keyword(s):  
Phase Diagrams ◽  
Hydrogen Adsorption ◽  
Surface Phase ◽  
Equilibrium Surface

scholarly journals Surface phase diagrams of La-based perovskites towards the O-rich limit from first principles

2019 ◽  
Vol 21 (24) ◽  
pp. 12859-12871 ◽  
Author(s):  
Yang Li ◽  
Jie Yang ◽  
Yi-An Zhu ◽  
Zhi-Jun Sui ◽  
Xing-Gui Zhou ◽  
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Keyword(s):  
Phase Diagrams ◽  
First Principles ◽  
Dft Study ◽  
Surface Phase ◽  
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A DFT study of surface phase diagrams of La-based perovskites in equilibrium with oxygen gas.

On the practical applications of MBE surface phase diagrams

1987 ◽  
Vol 81 (1-4) ◽  
pp. 49-54 ◽  
Author(s):  
S.M. Newstead ◽  
R.A.A. Kubiak ◽  
E.H.C. Parker
Keyword(s):  
Phase Diagrams ◽  
Surface Phase ◽  
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scholarly journals First-principles thermodynamics and experimental study of interface oxidation in Ni/Ni3Al structures

2019 ◽  
Vol 21 (33) ◽  
pp. 18316-18327
Author(s):  
Zhaowei Wang ◽  
Haiqing Pei ◽  
Jing Shang ◽  
Liangzhi Kou ◽  
Zhixun Wen ◽  
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Keyword(s):  
Experimental Study ◽  
Ab Initio ◽  
Phase Diagrams ◽  
First Principles ◽  
Oxidation Mechanism ◽  
Atomic Scale ◽  
Element Content ◽  
Surface Phase

Surface phase diagrams and element content obtained from ab initio thermodynamics and experiment reveal the atomic-scale oxidation mechanism of Ni/Ni3Al interfaces.

Surface Phase Diagrams:  Evidence of Molecular Arrangements at the Aqueous-Solution/Solid Interface

Langmuir ◽  
2004 ◽  
Vol 20 (25) ◽  
pp. 11012-11021 ◽  
Author(s):  
Dominique Andrieux ◽  
Abdelhaq Acharid ◽  
Marie-Claire Fritsch ◽  
Jose Marquez Garcia ◽  
Marcos Martin Martin ◽  
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Keyword(s):  
Aqueous Solution ◽  
Phase Diagrams ◽  
Surface Phase ◽  
Solid Interface

Ab initiocalculations of surface phase diagrams of silica polymorphs

2005 ◽  
Vol 71 (7) ◽  
Author(s):  
Evgueni Chagarov ◽  
Alexander A. Demkov ◽  
James B. Adams
Keyword(s):  
Phase Diagrams ◽  
Surface Phase
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