- Tytuł:
- The Oxygen Reduction Activity of Nitrogen-doped Graphene
- Autorzy:
-
Jian-feng, Liu
Ge, Sun
Ting, Wang
Kai, Ning
Bin-xia, Yuan
Wei-guo, Pan - Powiązania:
- https://bibliotekanauki.pl/articles/2174819.pdf
- Data publikacji:
- 2022
- Wydawca:
- Zachodniopomorski Uniwersytet Technologiczny w Szczecinie. Wydawnictwo Uczelniane ZUT w Szczecinie
- Tematy:
-
Nitrogen Doping
Graphene
Oxygen Reduction Activity
Molecular Simulation - Opis:
- 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 mag-nitude 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%.
- Źródło:
-
Polish Journal of Chemical Technology; 2022, 24, 3; 29--34
1509-8117
1899-4741 - Pojawia się w:
- Polish Journal of Chemical Technology
- Dostawca treści:
- Biblioteka Nauki
Artykuł