First principles study of oxygen reduction reaction mechanisms on N-doped graphene with a transition metal support

2014 ◽  
Vol 140 ◽  
pp. 225-231 ◽  
Author(s):  
Seung Hyo Noh ◽  
Do Hyun Kwak ◽  
Min Ho Seo ◽  
Takeo Ohsaka ◽  
Byungchan Han
Keyword(s):  
Transition Metal ◽  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
First Principles ◽  
Reaction Mechanisms ◽  
Reduction Reaction ◽  
First Principles Study ◽  
Metal Support ◽  
Doped Graphene

The mechanisms of oxygen reduction reaction on phosphorus doped graphene: A first-principles study

2015 ◽  
Vol 276 ◽  
pp. 222-229 ◽  
Author(s):  
Xilin Zhang ◽  
Zhansheng Lu ◽  
Zhaoming Fu ◽  
Yanan Tang ◽  
Dongwei Ma ◽  
...  
Keyword(s):  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
First Principles ◽  
Reduction Reaction ◽  
First Principles Study ◽  
Doped Graphene ◽  
Phosphorus Doped

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.

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