Identifying the Catalytic Active Sites in Heteroatom-Doped Graphene for the Oxygen Reduction Reaction

Fuel Cells ◽  
2016 ◽  
Vol 16 (5) ◽  
pp. 568-576 ◽  
Author(s):  
I. S. Flyagina ◽  
K. J. Hughes ◽  
D. C. Mielczarek ◽  
D. B. Ingham ◽  
M. Pourkashanian
Keyword(s):  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Active Sites ◽  
Reduction Reaction ◽  
Doped Graphene ◽  
Catalytic Active Sites

Oxygen reduction reaction on active sites of heteroatom-doped graphene

RSC Advances ◽  
2013 ◽  
Vol 3 (16) ◽  
pp. 5498 ◽  
Author(s):  
Xiaofeng Fan ◽  
W.T. Zheng ◽  
Jer-Lai Kuo
Keyword(s):  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Active Sites ◽  
Reduction Reaction ◽  
Doped Graphene

scholarly journals A DFT Study of the Oxygen Reduction Reaction Mechanism on Be Doped Graphene

2021 ◽  
Author(s):  
Caroline Kwawu ◽  
Albert Aniagyei ◽  
Destiny Konadu ◽  
Kenneth Limbey ◽  
Richard Tia ◽  
...  
Keyword(s):  
Reaction Mechanism ◽  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Active Sites ◽  
Density Functional ◽  
High Surface ◽  
High Surface Area ◽  
Dft Method ◽  
Reduction Reaction ◽  
Doped Graphene

Abstract Graphene despite its high surface area has very limited activity towards the oxygen reduction reaction (ORR), demonstrating selectivity towards the unfavorable two-electron mechanism. We have employed the spin polarized density functional theory (DFT) method to investigate the effect of the heteroatom p-type beryllium (Be) dopant on the oxygen reduction reaction activity of graphene. The preferred doping sites, active sites and reaction mechanism available on the doped graphene surfaces were investigated with increasing Be concentrations of 0.03 ML, 0.06 ML and 0.09 ML. Our results reveal that oxygen does not bind strongly to bare graphene, and Be at the lattice sites provides site for the oxygen adsorption and ORR. Oxygen binds dissociatively on the doped surfaces preferentially in the order 0.06 ML > 0.09 ML > 0.03 ML. From this studies introduction of Be impurities in a single honeycomb ring of graphene has significant impact on the binding and adsorbate-adsorbent interactions which leads to dissociative adsorption of oxygen, favouring the 4e- ORR pathway. The reaction is kinetically favoured most on the surface with a stronger O* binding and weaker OH* binding. Overall, the 0.03 ML and 0.06 ML doped surfaces are the most active facets for the ORR showing exergonic reaction energies at 0 V.

Exploring the active sites of nitrogen-doped graphene as catalysts for the oxygen reduction reaction

2014 ◽  
Vol 39 (28) ◽  
pp. 15996-16005 ◽  
Author(s):  
Wenpeng Ouyang ◽  
Dongrong Zeng ◽  
Xiang Yu ◽  
Fangyan Xie ◽  
Weihong Zhang ◽  
...  
Keyword(s):  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Active Sites ◽  
Reduction Reaction ◽  
Nitrogen Doped ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene

Potential of metal-free “graphene alloy” as electrocatalysts for oxygen reduction reaction

2015 ◽  
Vol 3 (5) ◽  
pp. 1795-1810 ◽  
Author(s):  
Dongsheng Geng ◽  
Ning Ding ◽  
T. S. Andy Hor ◽  
Zhaolin Liu ◽  
Xueliang Sun ◽  
...  
Keyword(s):  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Active Sites ◽  
Reduction Reaction ◽  
Comprehensive Review ◽  
Metal Free ◽  
Free Graphene ◽  
Doped Graphene

A comprehensive review on the active sites of doped graphene and the mechanism of their oxygen reduction reaction (ORR) with a summary of the feasible approaches for further improvement of their ORR activities.

Sign in / Sign up

Export Citation Format

Share Document