A first principles study on aluminium-sulfur co-doped graphene as an electro-catalyst for oxygen reduction reaction in a PEM fuel cell

2021 ◽  
Author(s):  
Christabel Ngetich ◽  
Evan Wanjiru ◽  
Kabini Karanja ◽  
Patrick Kareru ◽  
James Mutua
Keyword(s):  
Fuel Cell ◽  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
First Principles ◽  
Pem Fuel Cell ◽  
Reduction Reaction ◽  
First Principles Study ◽  
Doped Graphene ◽  
Co Doped

Ta and Nb co-doped TiO2 and its carbon-hybrid materials for supporting Pt–Pd alloy electrocatalysts for PEM fuel cell oxygen reduction reaction

2014 ◽  
Vol 2 (32) ◽  
pp. 12681-12685 ◽  
Author(s):  
Yan-Jie Wang ◽  
David P. Wilkinson ◽  
Vladimir Neburchilov ◽  
Chaojie Song ◽  
Alan Guest ◽  
...  
Keyword(s):  
Fuel Cell ◽  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Hybrid Materials ◽  
Electrocatalytic Activity ◽  
Pem Fuel Cell ◽  
Reduction Reaction ◽  
Doped Tio2 ◽  
Pd Alloy ◽  
Co Doped

The addition of Ta0.01Nb0.03Ti0.96O2 improves the electrocatalytic activity and stability of carbon for the oxygen reduction reaction.

The mechanisms of oxygen reduction reaction on phosphorus doped graphene: A first-principles study

2015 ◽  
Vol 276 ◽  
pp. 222-229 ◽  
Author(s):  
Xilin Zhang ◽  
Zhansheng Lu ◽  
Zhaoming Fu ◽  
Yanan Tang ◽  
Dongwei Ma ◽  
...  
Keyword(s):  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
First Principles ◽  
Reduction Reaction ◽  
First Principles Study ◽  
Doped Graphene ◽  
Phosphorus Doped

Oxygen Reduction Reaction on Pt Surface in PEM Fuel Cell Cathode Based on the First-Principles Molecular Dynamics

2014 ◽  
Vol 672-674 ◽  
pp. 657-660 ◽  
Author(s):  
Wen Shuai Song ◽  
Li Lian ◽  
Xun Wang ◽  
Hong Sun
Keyword(s):  
Molecular Dynamics ◽  
Fuel Cell ◽  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
First Principles ◽  
Pem Fuel Cell ◽  
Reduction Reaction ◽  
Fuel Cell Cathode ◽  
Cell Cathode ◽  
First Principles Molecular Dynamics

In proton exchange membrane (PEM) fuel cell cathode, oxygen reduction reaction (ORR) behavior have important effects on fuel cell performance. In this paper, the dynamic oxygen adsorption model and then the redox reaction model for hydrogen and oxygen system were established on the surface of the electricity catalyst Pt. The reaction process of hydrogen and oxygen on the surface of Pt was simulated by first-principles molecular dynamics method, and the influence of temperature on oxygen reduction reaction characteristics was analyzed. The simulation results show that the oxygen atom adsorption on the Pt (111) surface and reaction with the first hydrogen atom are the control step of the oxygen reduction reaction; and the oxygen reduction reaction accelerates with increasing temperature, but the temperature does not affect the geometric structure of the products in the oxygen reduction reaction steps. The results of the simulation agree well with our previous first-principles calclation, and this will be helpful for understanding the mechanism of oxygen reduction reaction in PEM fuel cell cathode.

A Facile Synthesis of Nitrogen/Sulfur Co-Doped Graphene for the Oxygen Reduction Reaction

ChemCatChem ◽  
2015 ◽  
Vol 8 (1) ◽  
pp. 163-170 ◽  
Author(s):  
Fuping Pan ◽  
Youxin Duan ◽  
Xinkai Zhang ◽  
Junyan Zhang
Keyword(s):  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Reduction Reaction ◽  
Facile Synthesis ◽  
Doped Graphene ◽  
Co Doped
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