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2012 ◽  
Vol 27 (12) ◽  
pp. 1631-1637 ◽  
Author(s):  
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Shaoqing Wang
Keyword(s):  
First Principles ◽  
First Principles Study ◽  
Hot Crack ◽  
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Abstract

First-principles study of the structural, elastic and electronic properties of Pt3M alloys

2016 ◽  
Vol 31 (19) ◽  
pp. 2956-2963 ◽  
Author(s):  
Xuechao Li ◽  
Xi Chen ◽  
Lihong Han ◽  
Chengji Ruan ◽  
Pengfei Lu ◽  
...  
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Electronic Properties ◽  
First Principles ◽  
First Principles Study ◽  
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Abstract

Economical Fe-doped Ta2O5 electrocatalyst toward efficient oxygen evolution: a combined experimental and first-principles study

2017 ◽  
Vol 7 (3) ◽  
pp. 563-569 ◽  
Author(s):  
Aihong Liu ◽  
Zhe Chen ◽  
Xiangxia Wei ◽  
Wen Xiao ◽  
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Oxygen Evolution ◽  
First Principles ◽  
First Principles Study ◽  
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Abstract

Bonding characteristic and electronic property of TiCxN1−x(001)/TiC(001) interface: A first-principles study

2018 ◽  
Vol 33 (11) ◽  
pp. 1650-1658 ◽  
Author(s):  
Xingwen Fan ◽  
Song Wang ◽  
Xianfeng Yang ◽  
Guoli Ni ◽  
Jingyi Zhang ◽  
...  
Keyword(s):  
Electronic Property ◽  
First Principles ◽  
First Principles Study ◽  
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Bonding Characteristic

Abstract

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