Catalytic role of graphitic nitrogen atoms in CO oxidation reaction over N-containing graphene: a first-principles mechanistic evaluation

2021 ◽  
Author(s):  
Mehdi D. Esrafili ◽  
Parisasadat Mousavian
Keyword(s):  
Catalytic Activity ◽  
First Principles ◽  
Oxidation Reaction ◽  
Chemical Processes ◽  
Nitrogen Doped ◽  
Co Oxidation Reaction ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene ◽  
Catalytic Role

Nitrogen-doped graphene has sparked a lot of interest due to its exceptional catalytic activity in a variety of chemical processes. We examine the catalytic ability of a series of nitrogen-containing...

Tuning the electronic structure of transition metals embedded in nitrogen-doped graphene for electrocatalytic nitrogen reduction: a first-principles study

Nanoscale ◽  
2020 ◽  
Vol 12 (17) ◽  
pp. 9696-9707 ◽  
Author(s):  
Xiaonan Zheng ◽  
Yuan Yao ◽  
Ya Wang ◽  
Yang Liu
Keyword(s):  
Electronic Structure ◽  
Catalytic Activity ◽  
Transition Metals ◽  
First Principles ◽  
Promising Candidate ◽  
Nitrogen Reduction ◽  
Nitrogen Doped ◽  
First Principles Study ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene

The Fe/Mn–N–C catalyst is a promising candidate for the NRR as it shows significantly improved NRR catalytic activity and strong selectivity against the HER.

scholarly journals One-pot synthesis of high-performance Co/graphene electrocatalysts for glucose fuel cells free of enzymes and precious metals

2015 ◽  
Vol 51 (45) ◽  
pp. 9354-9357 ◽  
Author(s):  
Suqin Ci ◽  
Zhenhai Wen ◽  
Shun Mao ◽  
Yang Hou ◽  
Shumao Cui ◽  
...  
Keyword(s):  
Oxidation Reaction ◽  
High Performance ◽  
Precious Metals ◽  
Reduction Reaction ◽  
One Pot ◽  
Nitrogen Doped ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene ◽  
Co Nanoparticles ◽  
Glucose Oxidation Reaction

Nanohybrids of nitrogen-doped graphene loading Co nanoparticles exhibit excellent electrocatalytic performance for both glucose oxidation reaction and oxygen reduction reaction.

Electrocatalytic oxygen reduction kinetics on Fe-center of nitrogen-doped graphene

2014 ◽  
Vol 16 (27) ◽  
pp. 13733-13740 ◽  
Author(s):  
Jing Sun ◽  
Ya-Hui Fang ◽  
Zhi-Pan Liu
Keyword(s):  
Oxygen Reduction ◽  
First Principles ◽  
Reduction Kinetics ◽  
Nitrogen Doped ◽  
Electrocatalytic Oxygen Reduction ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene ◽  
Oxygen Reduction Kinetics

OOH dissociation is the key step in electrocatalytic oxygen reduction on Fe–N centers of graphite, as revealed from first principles.

Superior catalytic activity of nitrogen-doped graphene cathodes for high energy capacity sodium–air batteries

2013 ◽  
Vol 49 (100) ◽  
pp. 11731 ◽  
Author(s):  
Yongliang Li ◽  
Hossein Yadegari ◽  
Xifei Li ◽  
Mohammad N. Banis ◽  
Ruying Li ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
High Energy ◽  
Energy Capacity ◽  
Nitrogen Doped ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene
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