Surface and Interface Engineering of Hollow Carbon Sphere-based Electrocatalysts for Oxygen Reduction Reaction

2021 ◽  
Author(s):  
Chunmei Zhang ◽  
Jingsha Li ◽  
Chang Ming Li ◽  
Wei Chen ◽  
Chunxian Guo
Keyword(s):  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Active Sites ◽  
High Surface ◽  
High Surface Area ◽  
Reduction Reaction ◽  
Carbon Sphere ◽  
Surface And Interface ◽  
Hollow Carbon ◽  
Hollow Carbon Spheres

Hollow carbon spheres (HCSs) attract broad interest in the area of electrocatalysis, especially in oxygen reduction reaction (ORR) owing to high surface area, abundant accessible active sites, discrete voids, and...

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.

Facile synthesis of tin-doped mayenite electride composite as a non-noble metal durable electrocatalyst for oxygen reduction reaction (ORR)

2018 ◽  
Vol 47 (38) ◽  
pp. 13498-13506 ◽  
Author(s):  
Karim Khan ◽  
Ayesha Khan Tareen ◽  
Jia Li ◽  
Usman Khan ◽  
Adeela Nairan ◽  
...  
Keyword(s):  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Surface Area ◽  
Noble Metal ◽  
High Surface ◽  
High Surface Area ◽  
Reduction Reaction ◽  
Facile Synthesis

In this study, we synthesized nanosized Sn-doped C12A7:e− (C12Al7−xSnx:e−, where x = 0.20 to 1) composite with high surface area of 244 m2 g−1.

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