Mechanisms of N2 formation from zigzag configurations with different dinitrogen active sites during coal pyrolysis

To have a deep insight into the microscopic mechanism of N2 formation during coal pyrolysis, the density functional theory was employed to compute and investigate the formation path of N2. Seven-membered ring containing two pyridine nitrogen is selected as carbonaceous models. The results reveal tha...

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Publié dans:	Environmental technology. - 1993. - (2025) vom: 16. Feb., Seite 1-11
Auteur principal:	Jiao, Tingting (Auteur)
Autres auteurs:	Shi, Pengzheng, Song, Jieyao, Qiao, Xianrong, Shangguan, Ju
Format:	Article en ligne
Langue:	English
Publié:	2025
Accès à la collection:	Environmental technology
Sujets:	Journal Article Coal N2 active sites density functional theory pyrolysis