First-principles study of the surface properties of U-Mo system

2018 ◽  
Vol 142 ◽  
pp. 355-360 ◽  
Author(s):  
Zhi-Gang Mei ◽  
Linyun Liang ◽  
Abdellatif M. Yacout
Keyword(s):  
Surface Properties ◽  
First Principles ◽  
First Principles Study

First-principles study of crystal-face specificity in surface properties of Fe-rich Fe-Cr alloys

2019 ◽  
Vol 3 (3) ◽  
Author(s):  
Xiaojie Li ◽  
Stephan Schönecker ◽  
Xiaoqing Li ◽  
Shengzhi Hao ◽  
Jijun Zhao ◽  
...  
Keyword(s):  
Surface Properties ◽  
First Principles ◽  
Crystal Face ◽  
First Principles Study

scholarly journals First-principles study of the surface properties of uranium carbides

2020 ◽  
Vol 542 ◽  
pp. 152257
Author(s):  
Zhi-Gang Mei ◽  
Bei Ye ◽  
Abdellatif M. Yacout ◽  
Benjamin Beeler ◽  
Yipeng Gao
Keyword(s):  
Surface Properties ◽  
First Principles ◽  
First Principles Study

scholarly journals First-principles study of the surface properties of γ-LiAlO2: Stability and tritium adsorption

2019 ◽  
Vol 522 ◽  
pp. 1-10 ◽  
Author(s):  
Ting Jia ◽  
Zhi Zeng ◽  
Hari Paudel ◽  
David J. Senor ◽  
Yuhua Duan
Keyword(s):  
Surface Properties ◽  
First Principles ◽  
First Principles Study

Towards tuning of surface properties by atomic and molecular adsorption on boron-terminated cubic boron nitride (111) surface: A first-principles study

2008 ◽  
Vol 17 (12) ◽  
pp. 2048-2053 ◽  
Author(s):  
Man-Fai Ng ◽  
Mui Kheng Teo ◽  
Kok Hwa Lim ◽  
Liping Zhou ◽  
Michael B. Sullivan ◽  
...  
Keyword(s):  
Boron Nitride ◽  
Surface Properties ◽  
First Principles ◽  
Cubic Boron Nitride ◽  
Molecular Adsorption ◽  
First Principles Study

scholarly journals First-principles study of surface properties of PuO2: Effects of thickness and O-vacancy on surface stability and chemical activity

2012 ◽  
Vol 426 (1-3) ◽  
pp. 139-147 ◽  
Author(s):  
Bo Sun ◽  
Haifeng Liu ◽  
Haifeng Song ◽  
Guangcai Zhang ◽  
Hui Zheng ◽  
...  
Keyword(s):  
Surface Properties ◽  
First Principles ◽  
Chemical Activity ◽  
Surface Stability ◽  
First Principles Study ◽  
O Vacancy

Morphology and surface properties of LiVOPO4: a first principles study

2014 ◽  
Vol 16 (44) ◽  
pp. 24604-24609 ◽  
Author(s):  
Yuhan Li ◽  
Jingping Zhang ◽  
Fengmei Yang ◽  
Jing Liang ◽  
Hao Sun ◽  
...  
Keyword(s):  
Surface Properties ◽  
First Principles ◽  
First Principles Study

Impact of strain on the surface properties of transition metal carbide films: First-principles study

2010 ◽  
Vol 107 (8) ◽  
pp. 083521 ◽  
Author(s):  
D. I. Bazhanov ◽  
I. V. Mutigullin ◽  
A. A. Knizhnik ◽  
B. V. Potapkin ◽  
A. A. Bagaturyants ◽  
...  
Keyword(s):  
Transition Metal ◽  
Surface Properties ◽  
First Principles ◽  
Transition Metal Carbide ◽  
Metal Carbide ◽  
First Principles Study
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