<abstract xmlns="http://www.w3.org/1999/xhtml">

<p>Graphite nitrogen, pyridine nitrogen and pyrrole nitrogen are the main nitrogen types in nitrogen-doped graphene materials. In order to investigate the mechanism of the oxygen reduction activity of nitrogen-doped graphene, several models of nitrogen-doped graphene with different nitrogen contents and different nitrogen types are developed. The nitrogen content is varied from 1.3 at% to 7.8 at%, and the adsorption energy is calculated according to the established models, then the band gaps are analyzed through the optimization results, so as to compare the magnitude of the conductivity. Finally, the oxygen reduction activity of graphite nitrogen-doped graphene (GNG) is found to be better than pyridine nitrogen-doped graphene (PDNG) and pyrrole nitrogen-doped graphene (PLNG) when the nitrogen content is lower than 2.6 at%, and the oxygen reduction activity of PDNG is the best when the nitrogen content was higher than 2.6 at%.</p>
</abstract>

Graphite nitrogen, pyridine nitrogen and pyrrole nitrogen are the main nitrogen types in nitrogen-doped graphene materials. In order to investigate the mechanism of the oxygen reduction activity of nitrogen-doped graphene, several models of nitrogen-doped graphene with different nitrogen contents and different nitrogen types are developed. The nitrogen content is varied from 1.3 at% to 7.8 at%, and the adsorption energy is calculated according to the established models, then the band gaps are analyzed through the optimization results, so as to compare the magnitude of the conductivity. Finally, the oxygen reduction activity of graphite nitrogen-doped graphene (GNG) is found to be better than pyridine nitrogen-doped graphene (PDNG) and pyrrole nitrogen-doped graphene (PLNG) when the nitrogen content is lower than 2.6 at%, and the oxygen reduction activity of PDNG is the best when the nitrogen content was higher than 2.6 at%.

The Oxygen Reduction Activity of Nitrogen-doped Graphene

College of Energy and Mechanical Engineering

Polish Journal of Chemical Technology

This work is licensed under the Creative Commons Attribution 4.0 International License.

{"article-title":"The Oxygen Reduction Activity of Nitrogen-doped Graphene"}

Graphite nitrogen, pyridine nitrogen and pyrrole nitrogen are the main nitrogen types in nitrogen-doped graphene materials. In order to investigate the...

The Oxygen Reduction Activity of Nitrogen-doped Graphene

Publié en ligne: 16 oct. 2022

Pages: 29 - 34

DOI: https://doi.org/10.2478/pjct-2022-0019

Mots clés
Nitrogen Doping, Graphene, Oxygen Reduction Activity, Molecular Simulation

© 2022 Liu Jian-feng et al., published by Sciendo

This work is licensed under the Creative Commons Attribution 4.0 International License.

The Oxygen Reduction Activity of Nitrogen-doped Graphene

Publié en ligne: 16 oct. 2022

Pages: 29 - 34

DOI: https://doi.org/10.2478/pjct-2022-0019

Mots clésNitrogen Doping, Graphene, Oxygen Reduction Activity, Molecular Simulation

© 2022 Liu Jian-feng et al., published by Sciendo

This work is licensed under the Creative Commons Attribution 4.0 International License.

Mots clés
Nitrogen Doping, Graphene, Oxygen Reduction Activity, Molecular Simulation