First principles study of surface stability and segregation of PdRuRh ternary metal alloy system

2018 ◽  
Vol 671 ◽  
pp. 51-59 ◽  
Author(s):  
Susan Meñez Aspera ◽  
Ryan Lacdao Arevalo ◽  
Hiroshi Nakanishi ◽  
Hideaki Kasai
Keyword(s):  
First Principles ◽  
Alloy System ◽  
Metal Alloy ◽  
Surface Stability ◽  
First Principles Study ◽  
Ternary Metal

Surface stabilities and NO oxidation kinetics on hexagonal-phase LaCoO3 facets: a first-principles study

2014 ◽  
Vol 4 (10) ◽  
pp. 3687-3696 ◽  
Author(s):  
Xiao Liu ◽  
Zhengzheng Chen ◽  
Yanwei Wen ◽  
Rong Chen ◽  
Bin Shan
Keyword(s):  
First Principles ◽  
Oxidation Kinetics ◽  
Hexagonal Phase ◽  
No Oxidation ◽  
Surface Stability ◽  
First Principles Study

The surface stability of hexagonal-phase LaCoO3 has been studied and the LaO3-terminated surface is catalytically most active towards NO oxidation.

First-principles study of ternary metal borocarbide compounds containing finite linear BC2 units

2003 ◽  
Vol 176 (2) ◽  
pp. 609-614 ◽  
Author(s):  
Christophe Jardin ◽  
Harald Hillebrecht ◽  
Josef Bauer ◽  
Jean-François Halet ◽  
Jean-Yves Saillard ◽  
...  
Keyword(s):  
First Principles ◽  
First Principles Study ◽  
Ternary Metal ◽  
Finite Linear

Strategy to enhance intrinsic ductility and surface stability of Mg-Zn-R (R = La to Sm) alloys from a first-principles study

2019 ◽  
Vol 165 ◽  
pp. 96-100
Author(s):  
Fen Yao ◽  
Lifang Zhang ◽  
Junling Meng ◽  
Xiaojuan Liu ◽  
Jian Meng ◽  
...  
Keyword(s):  
First Principles ◽  
Surface Stability ◽  
First Principles Study

scholarly journals First-principles study on surface stability and interface magnetic properties of SmFe12

2020 ◽  
Vol 13 (4) ◽  
pp. 045502 ◽  
Author(s):  
Yuta Ainai ◽  
Tomoharu Shiozawa ◽  
Yasutomi Tatetsu ◽  
Yoshihiro Gohda
Keyword(s):  
Magnetic Properties ◽  
First Principles ◽  
Surface Stability ◽  
First Principles Study

scholarly journals First-principles study on surface stability of tantalum carbides

2016 ◽  
Vol 644 ◽  
pp. 24-28 ◽  
Author(s):  
Wen-Li Yan ◽  
Michael Sygnatowicz ◽  
Guang-Hong Lu ◽  
Feng Liu ◽  
Dinesh K. Shetty
Keyword(s):  
First Principles ◽  
Surface Stability ◽  
First Principles Study ◽  
Tantalum Carbides

First-principles study of quantum size effects in ultrathin Pb-Bi metal alloy films

2010 ◽  
Vol 81 (24) ◽  
Author(s):  
Yu Jia ◽  
S. Y. Wang ◽  
W. G. Chen ◽  
Q. Sun ◽  
H. H. Weitering ◽  
...  
Keyword(s):  
First Principles ◽  
Size Effects ◽  
Metal Alloy ◽  
Quantum Size Effects ◽  
Alloy Films ◽  
First Principles Study ◽  
Quantum Size
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