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 First-principles study of heterostructures of MXene and nitrogen-doped graphene as anode materials for Li-ion batteries

2020 ◽  
Vol 21 ◽  
pp. 100788
Author(s):  
Rui Li ◽  
Peng Zhao ◽  
Xiaoqian Qin ◽  
Haibo Li ◽  
Konggang Qu ◽  
...  
Keyword(s):  
First Principles ◽  
Anode Materials ◽  
Li Ion Batteries ◽  
Nitrogen Doped ◽  
First Principles Study ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene ◽  
Li Ion
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