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 mechanism of the oxygen reduction activity of nitrogen-doped graphene, several models of nitrogen-doped graphene with different nitrogen contents an...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Sciendo
2022-10-01
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| Series: | Polish Journal of Chemical Technology |
| Subjects: | |
| Online Access: | https://doi.org/10.2478/pjct-2022-0019 |
| _version_ | 1828099572746944512 |
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| author | Jian-feng Liu Ge Sun Ting Wang Kai Ning Bin-xia Yuan Wei-guo Pan |
| author_facet | Jian-feng Liu Ge Sun Ting Wang Kai Ning Bin-xia Yuan Wei-guo Pan |
| author_sort | Jian-feng Liu |
| collection | DOAJ |
| description | 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%. |
| first_indexed | 2024-04-11T08:16:38Z |
| format | Article |
| id | doaj.art-12028909e26d4fe8bdd3d4aca832baec |
| institution | Directory Open Access Journal |
| issn | 1899-4741 |
| language | English |
| last_indexed | 2024-04-11T08:16:38Z |
| publishDate | 2022-10-01 |
| publisher | Sciendo |
| record_format | Article |
| series | Polish Journal of Chemical Technology |
| spelling | doaj.art-12028909e26d4fe8bdd3d4aca832baec2022-12-22T04:35:08ZengSciendoPolish Journal of Chemical Technology1899-47412022-10-01243293410.2478/pjct-2022-0019The Oxygen Reduction Activity of Nitrogen-doped GrapheneJian-feng Liu0Ge Sun1Ting Wang2Kai Ning3Bin-xia Yuan4Wei-guo Pan5College of Energy and Mechanical Engineering, Shanghai University of Electric Power, Shanghai200090, ChinaCollege of Energy and Mechanical Engineering, Shanghai University of Electric Power, Shanghai200090, ChinaCollege of Energy and Mechanical Engineering, Shanghai University of Electric Power, Shanghai200090, ChinaCollege of Energy and Mechanical Engineering, Shanghai University of Electric Power, Shanghai200090, ChinaCollege of Energy and Mechanical Engineering, Shanghai University of Electric Power, Shanghai200090, ChinaCollege of Energy and Mechanical Engineering, Shanghai University of Electric Power, Shanghai200090, ChinaGraphite 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%.https://doi.org/10.2478/pjct-2022-0019nitrogen dopinggrapheneoxygen reduction activitymolecular simulation |
| spellingShingle | Jian-feng Liu Ge Sun Ting Wang Kai Ning Bin-xia Yuan Wei-guo Pan The Oxygen Reduction Activity of Nitrogen-doped Graphene Polish Journal of Chemical Technology nitrogen doping graphene oxygen reduction activity molecular simulation |
| title | The Oxygen Reduction Activity of Nitrogen-doped Graphene |
| title_full | The Oxygen Reduction Activity of Nitrogen-doped Graphene |
| title_fullStr | The Oxygen Reduction Activity of Nitrogen-doped Graphene |
| title_full_unstemmed | The Oxygen Reduction Activity of Nitrogen-doped Graphene |
| title_short | The Oxygen Reduction Activity of Nitrogen-doped Graphene |
| title_sort | oxygen reduction activity of nitrogen doped graphene |
| topic | nitrogen doping graphene oxygen reduction activity molecular simulation |
| url | https://doi.org/10.2478/pjct-2022-0019 |
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