scholarly journals Stability and morphology of cerium oxide surfaces in an oxidizing environment: A first-principles investigation

2009 ◽  
Vol 131 (10) ◽  
pp. 104701 ◽  
Author(s):  
Marco Fronzi ◽  
Aloysius Soon ◽  
Bernard Delley ◽  
Enrico Traversa ◽  
Catherine Stampfl
Keyword(s):  
Cerium Oxide ◽  
First Principles ◽  
Oxide Surfaces

First-principles study of dielectric properties of cerium oxide

2005 ◽  
Vol 486 (1-2) ◽  
pp. 136-140 ◽  
Author(s):  
Takenori Yamamoto ◽  
Hiroyoshi Momida ◽  
Tomoyuki Hamada ◽  
Tsuyoshi Uda ◽  
Takahisa Ohno
Keyword(s):  
Dielectric Properties ◽  
Cerium Oxide ◽  
First Principles ◽  
First Principles Study

scholarly journals Energetics of Mg and B adsorption on polar zinc oxide surfaces from first principles

2008 ◽  
Vol 77 (3) ◽  
Author(s):  
Kazume Nishidate ◽  
Masahito Yoshizawa ◽  
Masayuki Hasegawa
Keyword(s):  
Zinc Oxide ◽  
First Principles ◽  
Oxide Surfaces

Interaction of Hydrogen with Cerium Oxide Surfaces:  a Quantum Mechanical Computational Study

2006 ◽  
Vol 110 (39) ◽  
pp. 19380-19385 ◽  
Author(s):  
Gianpaolo Vicario ◽  
Gabriele Balducci ◽  
Stefano Fabris ◽  
Stefano de Gironcoli ◽  
Stefano Baroni
Keyword(s):  
Cerium Oxide ◽  
Computational Study ◽  
Quantum Mechanical ◽  
Oxide Surfaces

First principles study on the adsorption of Au dimer on metal-oxide surfaces: The implications for Au growing

2017 ◽  
Vol 426 ◽  
pp. 554-561 ◽  
Author(s):  
Shan Dong ◽  
Yanxing Zhang ◽  
Xilin Zhang ◽  
Jianjun Mao ◽  
Zongxian Yang
Keyword(s):  
Metal Oxide ◽  
First Principles ◽  
Oxide Surfaces ◽  
Metal Oxide Surfaces ◽  
First Principles Study
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