A First-Principles Study of the Role of Quaternary-N Doping on the Oxygen Reduction Reaction Activity and Selectivity of Graphene Edge Sites

2013 ◽  
Vol 56 (18-20) ◽  
pp. 1623-1633 ◽  
Author(s):  
Xiaoguang Bao ◽  
Xiaowa Nie ◽  
Dieter von Deak ◽  
Elizabeth J. Biddinger ◽  
Wenjia Luo ◽  
...  
Keyword(s):  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
First Principles ◽  
Reduction Reaction ◽  
Oxygen Reduction Reaction Activity ◽  
First Principles Study ◽  
N Doping ◽  
Graphene Edge

The role of iron in the preparation and oxygen reduction reaction activity of nitrogen-doped carbon

2015 ◽  
Vol 51 (12) ◽  
pp. 2450-2453 ◽  
Author(s):  
Dae-Soo Yang ◽  
Min Young Song ◽  
Kiran Pal Singh ◽  
Jong-Sung Yu
Keyword(s):  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Carbon Sources ◽  
Reduction Reaction ◽  
Acidic Media ◽  
Oxygen Reduction Reaction Activity ◽  
Exact Role ◽  
Ordered Mesoporous ◽  
Nitrogen Doped Carbon

The exact role of iron in catalyzing oxygen reduction reaction in both alkaline and acidic media is portrayed with unique platelet ordered mesoporous carbon prepared using Fe-phthalocyanine as iron, nitrogen and carbon sources.

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.

Revealing the oxygen reduction reaction activity origin of single atoms supported on g-C3N4 monolayers: a first-principles study

2020 ◽  
Vol 8 (14) ◽  
pp. 6555-6563 ◽  
Author(s):  
Huan Niu ◽  
Xiting Wang ◽  
Chen Shao ◽  
Yuanshuang Liu ◽  
Zhaofu Zhang ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
First Principles ◽  
Electronic Structures ◽  
Reduction Reaction ◽  
Multiple Level ◽  
Oxygen Reduction Reaction Activity ◽  
Single Atoms ◽  
Basic Characteristics

Pd/g-C3N4 stands out for the ORR, and multiple-level descriptors involving basic characteristics, electronic structures, charge transfer and energy are established.

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