scholarly journals Structural, electronic and catalytic performances of single-atom Fe stabilized by divacancy-nitrogen-doped graphene

RSC Advances ◽  
2017 ◽  
Vol 7 (13) ◽  
pp. 7920-7928 ◽  
Author(s):  
Zhiyong Liu ◽  
Tingwei He ◽  
Kaikai Liu ◽  
Weiguang Chen ◽  
Yanan Tang
Keyword(s):  
First Principles ◽  
Catalytic Properties ◽  
Single Atom ◽  
First Principles Calculations ◽  
Nitrogen Doped ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene ◽  
Catalytic Performances

The geometric, electronic and catalytic properties of a single-atom Fe embedded GN4 sheet (Fe–GN4) were systematically studied using first-principles calculations.

Screening effective single-atom ORR and OER electrocatalysts from Pt decorated MXenes by first-principles calculations

2020 ◽  
Vol 8 (33) ◽  
pp. 17065-17077
Author(s):  
Dongxiao Kan ◽  
Ruqian Lian ◽  
Dashuai Wang ◽  
Xilin Zhang ◽  
Jing Xu ◽  
...  
Keyword(s):  
First Principles ◽  
Single Atom ◽  
First Principles Calculations ◽  
Single Atoms ◽  
Catalytic Performances

Pt single atoms doped on V-, Ti-, Nb-, and Cr-based MXenes presented high catalytic performances, especially the Nb- and Cr-based ones, which were promising bifunctional ORR/OER catalysts.

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.

Ni/nitrogen-doped graphene nanotubes acted as a valuable tailor for remarkably enhanced hydrogen evolution performance of platinum-based catalysts

2017 ◽  
Vol 5 (31) ◽  
pp. 16249-16254 ◽  
Author(s):  
Xiaobing Bao ◽  
Jing Wang ◽  
Xu Lian ◽  
Haiyan Jin ◽  
Shiping Wang ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Hydrogen Evolution ◽  
Electronic Interactions ◽  
Nitrogen Doped ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene ◽  
Catalytic Performances

The electronic interactions between Pt and Ni@NGNTs tuned the electronic properties and greatly boosted catalytic performances of the anchored Pt NPs.

Pd Single‐Atom Catalysts on Nitrogen‐Doped Graphene for the Highly Selective Photothermal Hydrogenation of Acetylene to Ethylene

2019 ◽  
Vol 31 (18) ◽  
pp. 1900509 ◽  
Author(s):  
Shiqi Zhou ◽  
Lu Shang ◽  
Yunxuan Zhao ◽  
Run Shi ◽  
Geoffrey I. N. Waterhouse ◽  
...  
Keyword(s):  
Single Atom ◽  
Nitrogen Doped ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene
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