scholarly journals Oxygen Reduction Activity on Perovskite Oxide Surfaces: A Comparative First-Principles Study of LaMnO3, LaFeO3, and LaCrO3

2013 ◽  
Vol 117 (5) ◽  
pp. 2106-2112 ◽  
Author(s):  
Yan Wang ◽  
Hai-Ping Cheng
Keyword(s):  
Oxygen Reduction ◽  
First Principles ◽  
Perovskite Oxide ◽  
Oxide Surfaces ◽  
First Principles Study ◽  
Reduction Activity

First-Principles Prediction of Oxygen Reduction Activity on Pd–Cu–Si Metallic Glasses

2014 ◽  
Vol 118 (49) ◽  
pp. 28609-28615 ◽  
Author(s):  
Zhengzheng Chen ◽  
Yiyi Yang ◽  
Sharvan Kumar ◽  
Gang Lu
Keyword(s):  
Oxygen Reduction ◽  
Metallic Glasses ◽  
First Principles ◽  
Reduction Activity

scholarly journals Oxygen reduction on zirconium-stabilized-PdO surfaces: a first-principles study

RSC Advances ◽  
2017 ◽  
Vol 7 (65) ◽  
pp. 41057-41062 ◽  
Author(s):  
Xiaofeng Yang ◽  
Zongbao Li ◽  
Xinyu Li ◽  
Ao Wang ◽  
Lichao Jia ◽  
...  
Keyword(s):  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
First Principles ◽  
Relative Stability ◽  
Reduction Reaction ◽  
First Principles Calculations ◽  
First Principles Study

The oxygen reduction reaction properties on PdO and Zr-doped PdO surfaces, and the relative stability of the concerned surfaces, have been studied by first-principles calculations.

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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